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@article{DBLP:journals/jcamd/AbdoGAP20,
author = {Ammar Abdo and
Eissa Ghaleb and
Naser K. A. Alajmi and
Maude Pupin},
title = {Monomer structure fingerprints: an extension of the monomer composition
version for peptide databases},
journal = {J. Comput. Aided Mol. Des.},
volume = {34},
number = {11},
pages = {1147--1156},
year = {2020},
url = {https://doi.org/10.1007/s10822-020-00336-8},
doi = {10.1007/S10822-020-00336-8},
timestamp = {Tue, 29 Dec 2020 00:00:00 +0100},
biburl = {https://dblp.org/rec/journals/jcamd/AbdoGAP20.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcamd/AghazadehKRB20,
author = {Hossein Aghazadeh and
Mokhtar Ganjali Koli and
Reza Ranjbar and
Kamran Pooshang Bagheri},
title = {Interactions of {GF-17} derived from {LL-37} antimicrobial peptide
with bacterial membranes: a molecular dynamics simulation study},
journal = {J. Comput. Aided Mol. Des.},
volume = {34},
number = {12},
pages = {1261--1273},
year = {2020},
url = {https://doi.org/10.1007/s10822-020-00348-4},
doi = {10.1007/S10822-020-00348-4},
timestamp = {Tue, 21 Mar 2023 00:00:00 +0100},
biburl = {https://dblp.org/rec/journals/jcamd/AghazadehKRB20.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcamd/ArifAAFLY20,
author = {Muhammad Arif and
Saeed Ahmad and
Farman Ali and
Ge Fang and
Min Li and
Dong{-}Jun Yu},
title = {TargetCPP: accurate prediction of cell-penetrating peptides from optimized
multi-scale features using gradient boost decision tree},
journal = {J. Comput. Aided Mol. Des.},
volume = {34},
number = {8},
pages = {841--856},
year = {2020},
url = {https://doi.org/10.1007/s10822-020-00307-z},
doi = {10.1007/S10822-020-00307-Z},
timestamp = {Sun, 30 Jul 2023 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcamd/ArifAAFLY20.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcamd/ArslanFA20,
author = {Evrim Arslan and
Basak Koca Findik and
Viktorya Aviyente},
title = {A blind {SAMPL6} challenge: insight into the octanol-water partition
coefficients of drug-like molecules via a {DFT} approach},
journal = {J. Comput. Aided Mol. Des.},
volume = {34},
number = {4},
pages = {463--470},
year = {2020},
url = {https://doi.org/10.1007/s10822-020-00284-3},
doi = {10.1007/S10822-020-00284-3},
timestamp = {Sun, 02 Oct 2022 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcamd/ArslanFA20.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcamd/AshidaK20,
author = {Takeshi Ashida and
Takeshi Kikuchi},
title = {A new method for estimating the relative binding free energy, derived
from a free energy variational principle for the Pim-1-kinase-ligand
and FKBP-ligand systems},
journal = {J. Comput. Aided Mol. Des.},
volume = {34},
number = {6},
pages = {647--658},
year = {2020},
url = {https://doi.org/10.1007/s10822-020-00302-4},
doi = {10.1007/S10822-020-00302-4},
timestamp = {Sat, 30 May 2020 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcamd/AshidaK20.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcamd/AtanasioDR20,
author = {Silvia Atanasio and
Giuseppe Deganutti and
Christopher A. Reynolds},
title = {Addressing free fatty acid receptor 1 {(FFAR1)} activation using supervised
molecular dynamics},
journal = {J. Comput. Aided Mol. Des.},
volume = {34},
number = {11},
pages = {1181--1193},
year = {2020},
url = {https://doi.org/10.1007/s10822-020-00338-6},
doi = {10.1007/S10822-020-00338-6},
timestamp = {Fri, 25 Dec 2020 00:00:00 +0100},
biburl = {https://dblp.org/rec/journals/jcamd/AtanasioDR20.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcamd/BasciuKMBV20,
author = {Andrea Basciu and
Panagiotis I. Koukos and
Giuliano Malloci and
Alexandre M. J. J. Bonvin and
Attilio Vittorio Vargiu},
title = {Coupling enhanced sampling of the apo-receptor with template-based
ligand conformers selection: performance in pose prediction in the
{D3R} Grand Challenge 4},
journal = {J. Comput. Aided Mol. Des.},
volume = {34},
number = {2},
pages = {149--162},
year = {2020},
url = {https://doi.org/10.1007/s10822-019-00244-6},
doi = {10.1007/S10822-019-00244-6},
timestamp = {Thu, 14 Oct 2021 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcamd/BasciuKMBV20.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcamd/BaumgartnerE20,
author = {Matthew P. Baumgartner and
David A. Evans},
title = {Side chain virtual screening of matched molecular pairs: a PDB-wide
and ChEMBL-wide analysis},
journal = {J. Comput. Aided Mol. Des.},
volume = {34},
number = {9},
pages = {953--963},
year = {2020},
url = {https://doi.org/10.1007/s10822-020-00313-1},
doi = {10.1007/S10822-020-00313-1},
timestamp = {Thu, 13 Aug 2020 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcamd/BaumgartnerE20.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcamd/BelgamoAPRRTCF20,
author = {Juli{\'{a}}n A. B{\'{e}}lgamo and
Lucas N. Alberca and
Jorge L. P{\'{o}}rfido and
Franco N. Caram Romero and
Santiago Rodriguez and
Alan Talevi and
Betina C{\'{o}}rsico and
Gisela R. Franchini},
title = {Application of target repositioning and in silico screening to exploit
fatty acid binding proteins (FABPs) from Echinococcus multilocularis
as possible drug targets},
journal = {J. Comput. Aided Mol. Des.},
volume = {34},
number = {12},
pages = {1275--1288},
year = {2020},
url = {https://doi.org/10.1007/s10822-020-00352-8},
doi = {10.1007/S10822-020-00352-8},
timestamp = {Sun, 02 Oct 2022 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcamd/BelgamoAPRRTCF20.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcamd/BelloGR20,
author = {Martiniano Bello and
Concepci{\'{o}}n Guadarrama{-}Garc{\'{\i}}a and
Rolando Alberto Rodriguez{-}Fonseca},
title = {Dissecting the molecular recognition of dual lapatinib derivatives
for {EGFR/HER2}},
journal = {J. Comput. Aided Mol. Des.},
volume = {34},
number = {3},
pages = {293--303},
year = {2020},
url = {https://doi.org/10.1007/s10822-019-00270-4},
doi = {10.1007/S10822-019-00270-4},
timestamp = {Thu, 14 Oct 2021 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcamd/BelloGR20.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcamd/BorioniCPMPPG20,
author = {Jos{\'{e}} L. Borioni and
Valeria Cavallaro and
Adriana B. Pierini and
Ana Paula Murray and
Alicia B. Pe{\~{n}}{\'{e}}{\~{n}}ory and
Marcelo Puiatti and
Manuela E. Garc{\'{\i}}a},
title = {An activity prediction model for steroidal and triterpenoidal inhibitors
of Acetylcholinesterase enzyme},
journal = {J. Comput. Aided Mol. Des.},
volume = {34},
number = {10},
pages = {1079--1090},
year = {2020},
url = {https://doi.org/10.1007/s10822-020-00324-y},
doi = {10.1007/S10822-020-00324-Y},
timestamp = {Sat, 30 Sep 2023 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcamd/BorioniCPMPPG20.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcamd/BrownELLRS20,
author = {Nathan Brown and
Peter Ertl and
Richard A. Lewis and
Torsten Luksch and
Daniel Reker and
Nadine Schneider},
title = {Artificial intelligence in chemistry and drug design},
journal = {J. Comput. Aided Mol. Des.},
volume = {34},
number = {7},
pages = {709--715},
year = {2020},
url = {https://doi.org/10.1007/s10822-020-00317-x},
doi = {10.1007/S10822-020-00317-X},
timestamp = {Thu, 14 Oct 2021 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcamd/BrownELLRS20.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcamd/BufanoLBLNSBC20,
author = {Marianna Bufano and
Marion Laudette and
Jean{-}Paul Blondeau and
Frank Lezoualc'h and
Marianna Nalli and
Romano Silvestri and
Andrea Brancale and
Antonio Coluccia},
title = {Modeling Epac1 interactions with the allosteric inhibitor {AM-001}
by co-solvent molecular dynamics},
journal = {J. Comput. Aided Mol. Des.},
volume = {34},
number = {11},
pages = {1171--1179},
year = {2020},
url = {https://doi.org/10.1007/s10822-020-00332-y},
doi = {10.1007/S10822-020-00332-Y},
timestamp = {Fri, 14 May 2021 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcamd/BufanoLBLNSBC20.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcamd/CharoenkwanNHS20,
author = {Phasit Charoenkwan and
Chanin Nantasenamat and
Md. Mehedi Hasan and
Watshara Shoombuatong},
title = {Meta-iPVP: a sequence-based meta-predictor for improving the prediction
of phage virion proteins using effective feature representation},
journal = {J. Comput. Aided Mol. Des.},
volume = {34},
number = {10},
pages = {1105--1116},
year = {2020},
url = {https://doi.org/10.1007/s10822-020-00323-z},
doi = {10.1007/S10822-020-00323-Z},
timestamp = {Sun, 25 Jul 2021 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcamd/CharoenkwanNHS20.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcamd/ChenWSPY20,
author = {Jianzhong Chen and
Wei Wang and
Haibo Sun and
Laixue Pang and
Baohua Yin},
title = {Mutation-mediated influences on binding of anaplastic lymphoma kinase
to crizotinib decoded by multiple replica Gaussian accelerated molecular
dynamics},
journal = {J. Comput. Aided Mol. Des.},
volume = {34},
number = {12},
pages = {1289--1305},
year = {2020},
url = {https://doi.org/10.1007/s10822-020-00355-5},
doi = {10.1007/S10822-020-00355-5},
timestamp = {Fri, 25 Dec 2020 00:00:00 +0100},
biburl = {https://dblp.org/rec/journals/jcamd/ChenWSPY20.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcamd/ClarkMCLPRLFGGW20,
author = {Robert D. Clark and
Denise N. Morris and
Gary Chinigo and
Michael S. Lawless and
Jacques Prudhomme and
Karine G. Le Roch and
Maria Jos{\'{e}} Lafuente and
Santiago Ferrer and
Francisco Javier Gamo and
Robert Gadwood and
Walter S. Woltosz},
title = {Design and tests of prospective property predictions for novel antimalarial
2-aminopropylaminoquinolones},
journal = {J. Comput. Aided Mol. Des.},
volume = {34},
number = {11},
pages = {1117--1132},
year = {2020},
url = {https://doi.org/10.1007/s10822-020-00333-x},
doi = {10.1007/S10822-020-00333-X},
timestamp = {Fri, 25 Dec 2020 00:00:00 +0100},
biburl = {https://dblp.org/rec/journals/jcamd/ClarkMCLPRLFGGW20.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcamd/ColodetteFMFSB20,
author = {Natalie M. Colodette and
Lucas S. Franco and
Rodolfo C. Maia and
Harold H. Fokoue and
Carlos Mauricio R. Sant'Anna and
Eliezer J. Barreiro},
title = {Novel phosphatidylinositol 4-kinases {III} beta (PI4KIII{\(\beta\)})
inhibitors discovered by virtual screening using free energy models},
journal = {J. Comput. Aided Mol. Des.},
volume = {34},
number = {10},
pages = {1091--1103},
year = {2020},
url = {https://doi.org/10.1007/s10822-020-00327-9},
doi = {10.1007/S10822-020-00327-9},
timestamp = {Sat, 30 Sep 2023 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcamd/ColodetteFMFSB20.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcamd/DingXQCZHSH20,
author = {Ye Ding and
You Xu and
Cheng Qian and
Jinfeng Chen and
Jian Zhu and
Houhou Huang and
Yi Shi and
Jing Huang},
title = {Predicting partition coefficients of drug-like molecules in the {SAMPL6}
challenge with Drude polarizable force fields},
journal = {J. Comput. Aided Mol. Des.},
volume = {34},
number = {4},
pages = {421--435},
year = {2020},
url = {https://doi.org/10.1007/s10822-020-00282-5},
doi = {10.1007/S10822-020-00282-5},
timestamp = {Sat, 30 Sep 2023 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcamd/DingXQCZHSH20.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcamd/FanIB20,
author = {Shujie Fan and
Bogdan I. Iorga and
Oliver Beckstein},
title = {Prediction of octanol-water partition coefficients for the SAMPL6-log
{P} molecules using molecular dynamics simulations with OPLS-AA, {AMBER}
and {CHARMM} force fields},
journal = {J. Comput. Aided Mol. Des.},
volume = {34},
number = {5},
pages = {543--560},
year = {2020},
url = {https://doi.org/10.1007/s10822-019-00267-z},
doi = {10.1007/S10822-019-00267-Z},
timestamp = {Thu, 14 Oct 2021 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcamd/FanIB20.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcamd/GarciaTHG20,
author = {Gonzalo Cerruela Garc{\'{\i}}a and
Jos{\'{e}} P{\'{e}}rez{-}Parras Toledano and
Aida de Haro{-}Garc{\'{\i}}a and
Nicol{\'{a}}s Garc{\'{\i}}a{-}Pedrajas},
title = {Influence of feature rankers in the construction of molecular activity
prediction models},
journal = {J. Comput. Aided Mol. Des.},
volume = {34},
number = {3},
pages = {305--325},
year = {2020},
url = {https://doi.org/10.1007/s10822-019-00273-1},
doi = {10.1007/S10822-019-00273-1},
timestamp = {Sat, 30 May 2020 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcamd/GarciaTHG20.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcamd/GhiandoniBCHWWG20,
author = {Gian Marco Ghiandoni and
Michael J. Bodkin and
Beining Chen and
Dimitar Hristozov and
James E. A. Wallace and
James Webster and
Valerie J. Gillet},
title = {Enhancing reaction-based de novo design using a multi-label reaction
class recommender},
journal = {J. Comput. Aided Mol. Des.},
volume = {34},
number = {7},
pages = {783--803},
year = {2020},
url = {https://doi.org/10.1007/s10822-020-00300-6},
doi = {10.1007/S10822-020-00300-6},
timestamp = {Wed, 07 Dec 2022 00:00:00 +0100},
biburl = {https://dblp.org/rec/journals/jcamd/GhiandoniBCHWWG20.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcamd/GilsonA20,
author = {Michael K. Gilson and
Rommie E. Amaro},
title = {Drug Design Data Resource, Grand Challenge 4, second of two issues},
journal = {J. Comput. Aided Mol. Des.},
volume = {34},
number = {2},
pages = {97},
year = {2020},
url = {https://doi.org/10.1007/s10822-020-00296-z},
doi = {10.1007/S10822-020-00296-Z},
timestamp = {Mon, 05 Feb 2024 00:00:00 +0100},
biburl = {https://dblp.org/rec/journals/jcamd/GilsonA20.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcamd/GreenPLSMMBPM20,
author = {Darren V. S. Green and
Stephen D. Pickett and
Christopher N. Luscombe and
Stefan Senger and
David Marcus and
Jamel Meslamani and
David Brett and
Adam Powell and
Jonathan Masson},
title = {{BRADSHAW:} a system for automated molecular design},
journal = {J. Comput. Aided Mol. Des.},
volume = {34},
number = {7},
pages = {747--765},
year = {2020},
url = {https://doi.org/10.1007/s10822-019-00234-8},
doi = {10.1007/S10822-019-00234-8},
timestamp = {Fri, 14 May 2021 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcamd/GreenPLSMMBPM20.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcamd/GreenPLSMMBPM20a,
author = {Darren V. S. Green and
Stephen D. Pickett and
Christopher N. Luscombe and
Stefan Senger and
David Marcus and
Jamel Meslamani and
David Brett and
Adam Powell and
Jonathan Masson},
title = {Correction to: {BRADSHAW:} a system for automated molecular design},
journal = {J. Comput. Aided Mol. Des.},
volume = {34},
number = {7},
pages = {767},
year = {2020},
url = {https://doi.org/10.1007/s10822-019-00243-7},
doi = {10.1007/S10822-019-00243-7},
timestamp = {Thu, 14 Oct 2021 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcamd/GreenPLSMMBPM20a.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcamd/GuanLM20,
author = {Davy Guan and
Raymond Lui and
Slade Matthews},
title = {LogP prediction performance with the {SMD} solvation model and the
{M06} density functional family for {SAMPL6} blind prediction challenge
molecules},
journal = {J. Comput. Aided Mol. Des.},
volume = {34},
number = {5},
pages = {511--522},
year = {2020},
url = {https://doi.org/10.1007/s10822-020-00278-1},
doi = {10.1007/S10822-020-00278-1},
timestamp = {Sat, 30 May 2020 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcamd/GuanLM20.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcamd/GunnerMRIC20,
author = {Marilyn R. Gunner and
Taichi Murakami and
Ari{\"{e}}n S. Rustenburg and
Mehtap Isik and
John D. Chodera},
title = {Standard state free energies, not pK\({}_{\mbox{a}}\)s, are ideal
for describing small molecule protonation and tautomeric states},
journal = {J. Comput. Aided Mol. Des.},
volume = {34},
number = {5},
pages = {561--573},
year = {2020},
url = {https://doi.org/10.1007/s10822-020-00280-7},
doi = {10.1007/S10822-020-00280-7},
timestamp = {Mon, 15 Jun 2020 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcamd/GunnerMRIC20.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcamd/GureevNGVGT20,
author = {Maxim Gureev and
Daria Novikova and
Tatyana Grigoreva and
Svetlana Vorona and
Alexander Garabadzhiu and
Vyacheslav Tribulovich},
title = {Simulation of {MDM2} N-terminal domain conformational lability in
the presence of imidazoline based inhibitors of MDM2-p53 protein-protein
interaction},
journal = {J. Comput. Aided Mol. Des.},
volume = {34},
number = {1},
pages = {55--70},
year = {2020},
url = {https://doi.org/10.1007/s10822-019-00260-6},
doi = {10.1007/S10822-019-00260-6},
timestamp = {Thu, 14 Oct 2021 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcamd/GureevNGVGT20.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcamd/HanpaiboolLTR20,
author = {Chonnikan Hanpaibool and
Matina Leelawiwat and
Kaito Takahashi and
Thanyada Rungrotmongkol},
title = {Source of oseltamivir resistance due to single {E119D} and double
{E119D/H274Y} mutations in pdm09H1N1 influenza neuraminidase},
journal = {J. Comput. Aided Mol. Des.},
volume = {34},
number = {1},
pages = {27--37},
year = {2020},
url = {https://doi.org/10.1007/s10822-019-00251-7},
doi = {10.1007/S10822-019-00251-7},
timestamp = {Mon, 26 Oct 2020 00:00:00 +0100},
biburl = {https://dblp.org/rec/journals/jcamd/HanpaiboolLTR20.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcamd/HuB20,
author = {Huabin Hu and
J{\"{u}}rgen Bajorath},
title = {Simplified activity cliff network representations with high interpretability
and immediate access to {SAR} information},
journal = {J. Comput. Aided Mol. Des.},
volume = {34},
number = {9},
pages = {943--952},
year = {2020},
url = {https://doi.org/10.1007/s10822-020-00319-9},
doi = {10.1007/S10822-020-00319-9},
timestamp = {Fri, 14 May 2021 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcamd/HuB20.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcamd/IsikBFRCM20,
author = {Mehtap Isik and
Teresa Danielle Bergazin and
Thomas Fox and
Andrea Rizzi and
John D. Chodera and
David L. Mobley},
title = {Assessing the accuracy of octanol-water partition coefficient predictions
in the {SAMPL6} Part {II} log {P} Challenge},
journal = {J. Comput. Aided Mol. Des.},
volume = {34},
number = {4},
pages = {335--370},
year = {2020},
url = {https://doi.org/10.1007/s10822-020-00295-0},
doi = {10.1007/S10822-020-00295-0},
timestamp = {Sat, 30 May 2020 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcamd/IsikBFRCM20.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcamd/IsikLMRC20,
author = {Mehtap Isik and
Dorothy Levorse and
David L. Mobley and
Timothy Rhodes and
John D. Chodera},
title = {Octanol-water partition coefficient measurements for the {SAMPL6}
blind prediction challenge},
journal = {J. Comput. Aided Mol. Des.},
volume = {34},
number = {4},
pages = {405--420},
year = {2020},
url = {https://doi.org/10.1007/s10822-019-00271-3},
doi = {10.1007/S10822-019-00271-3},
timestamp = {Sat, 30 May 2020 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcamd/IsikLMRC20.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcamd/JonesB20,
author = {Michael R. Jones and
Bernard R. Brooks},
title = {Quantum chemical predictions of water-octanol partition coefficients
applied to the {SAMPL6} logP blind challenge},
journal = {J. Comput. Aided Mol. Des.},
volume = {34},
number = {5},
pages = {485--493},
year = {2020},
url = {https://doi.org/10.1007/s10822-020-00286-1},
doi = {10.1007/S10822-020-00286-1},
timestamp = {Sat, 30 May 2020 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcamd/JonesB20.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcamd/KadukovaCG20,
author = {Maria Kadukova and
Vladimir Chupin and
Sergei Grudinin},
title = {Docking rigid macrocycles using Convex-PL, AutoDock Vina, and RDKit
in the {D3R} Grand Challenge 4},
journal = {J. Comput. Aided Mol. Des.},
volume = {34},
number = {2},
pages = {191--200},
year = {2020},
url = {https://doi.org/10.1007/s10822-019-00263-3},
doi = {10.1007/S10822-019-00263-3},
timestamp = {Mon, 26 Oct 2020 00:00:00 +0100},
biburl = {https://dblp.org/rec/journals/jcamd/KadukovaCG20.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcamd/KhannaMDP20,
author = {Vikram Khanna and
Jacob I. Monroe and
Michael F. Doherty and
Baron Peters},
title = {Performing solvation free energy calculations in {LAMMPS} using the
decoupling approach},
journal = {J. Comput. Aided Mol. Des.},
volume = {34},
number = {6},
pages = {641--646},
year = {2020},
url = {https://doi.org/10.1007/s10822-020-00303-3},
doi = {10.1007/S10822-020-00303-3},
timestamp = {Mon, 15 Jun 2020 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcamd/KhannaMDP20.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcamd/KhatunHSK20,
author = {Mst. Shamima Khatun and
Md. Mehedi Hasan and
Watshara Shoombuatong and
Hiroyuki Kurata},
title = {ProIn-Fuse: improved and robust prediction of proinflammatory peptides
by fusing of multiple feature representations},
journal = {J. Comput. Aided Mol. Des.},
volume = {34},
number = {12},
pages = {1229--1236},
year = {2020},
url = {https://doi.org/10.1007/s10822-020-00343-9},
doi = {10.1007/S10822-020-00343-9},
timestamp = {Wed, 07 Apr 2021 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcamd/KhatunHSK20.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcamd/KotelnikovALIPB20,
author = {Sergei Kotelnikov and
Andrey Alekseenko and
Cong Liu and
Mikhail Ignatov and
Dzmitry Padhorny and
Emiliano Brini and
Mark Lukin and
Evangelos A. Coutsias and
Ken A. Dill and
Dima Kozakov},
title = {Sampling and refinement protocols for template-based macrocycle docking:
2018 {D3R} Grand Challenge 4},
journal = {J. Comput. Aided Mol. Des.},
volume = {34},
number = {2},
pages = {179--189},
year = {2020},
url = {https://doi.org/10.1007/s10822-019-00257-1},
doi = {10.1007/S10822-019-00257-1},
timestamp = {Sat, 30 Sep 2023 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcamd/KotelnikovALIPB20.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcamd/KovarSPMSBKZB20,
author = {Petr Kov{\'{a}}r and
Jakub Skoda and
Miroslav Posp{\'{\i}}sil and
Kl{\'{a}}ra Mel{\'{a}}nov{\'{a}} and
Jan Svoboda and
Ludv{\'{\i}}k Benes and
Petr Kut{\'{a}}lek and
V{\'{\i}}tezslav Zima and
Filip Bures},
title = {How N-(pyridin-4-yl)pyridin-4-amine and its methyl and nitro derivatives
are arranged in the interlayer space of zirconium sulfophenylphosphonate:
a problem solved by experimental and calculation methods},
journal = {J. Comput. Aided Mol. Des.},
volume = {34},
number = {6},
pages = {683--695},
year = {2020},
url = {https://doi.org/10.1007/s10822-020-00299-w},
doi = {10.1007/S10822-020-00299-W},
timestamp = {Sun, 02 Oct 2022 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcamd/KovarSPMSBKZB20.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcamd/KramerHJB20,
author = {Andreas Kr{\"{a}}mer and
Phillip S. Hudson and
Michael R. Jones and
Bernard R. Brooks},
title = {Multi-phase Boltzmann weighting: accounting for local inhomogeneity
in molecular simulations of water-octanol partition coefficients in
the {SAMPL6} challenge},
journal = {J. Comput. Aided Mol. Des.},
volume = {34},
number = {5},
pages = {471--483},
year = {2020},
url = {https://doi.org/10.1007/s10822-020-00285-2},
doi = {10.1007/S10822-020-00285-2},
timestamp = {Sat, 30 May 2020 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcamd/KramerHJB20.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcamd/KuderMKK20,
author = {Kamil J. Kuder and
Ilona Michalik and
Katarzyna Kiec{-}Kononowicz and
Peter Kolb},
title = {A Taxicab geometry quantification system to evaluate the performance
of in silico methods: a case study on adenosine receptors ligands},
journal = {J. Comput. Aided Mol. Des.},
volume = {34},
number = {6},
pages = {697--707},
year = {2020},
url = {https://doi.org/10.1007/s10822-020-00301-5},
doi = {10.1007/S10822-020-00301-5},
timestamp = {Fri, 14 May 2021 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcamd/KuderMKK20.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcamd/LansPCC20,
author = {Isaias Lans and
Karen Palacio{-}Rodr{\'{\i}}guez and
Claudio N. Cavasotto and
Pilar Cossio},
title = {Flexi-pharma: a molecule-ranking strategy for virtual screening using
pharmacophores from ligand-free conformational ensembles},
journal = {J. Comput. Aided Mol. Des.},
volume = {34},
number = {10},
pages = {1063--1077},
year = {2020},
url = {https://doi.org/10.1007/s10822-020-00329-7},
doi = {10.1007/S10822-020-00329-7},
timestamp = {Fri, 14 May 2021 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcamd/LansPCC20.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcamd/LinBHMV20,
author = {Arkadii I. Lin and
Bernd Beck and
Dragos Horvath and
Gilles Marcou and
Alexandre Varnek},
title = {Diversifying chemical libraries with generative topographic mapping},
journal = {J. Comput. Aided Mol. Des.},
volume = {34},
number = {7},
pages = {805--815},
year = {2020},
url = {https://doi.org/10.1007/s10822-019-00215-x},
doi = {10.1007/S10822-019-00215-X},
timestamp = {Sun, 12 Nov 2023 00:00:00 +0100},
biburl = {https://dblp.org/rec/journals/jcamd/LinBHMV20.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcamd/LiuK20,
author = {Kai Liu and
Hironori Kokubo},
title = {Prediction of ligand binding mode among multiple cross-docking poses
by molecular dynamics simulations},
journal = {J. Comput. Aided Mol. Des.},
volume = {34},
number = {11},
pages = {1195--1205},
year = {2020},
url = {https://doi.org/10.1007/s10822-020-00340-y},
doi = {10.1007/S10822-020-00340-Y},
timestamp = {Fri, 25 Dec 2020 00:00:00 +0100},
biburl = {https://dblp.org/rec/journals/jcamd/LiuK20.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcamd/Lopez-LopezROM20,
author = {Edgar L{\'{o}}pez{-}L{\'{o}}pez and
Obdulia Rabal and
Julen Oyarzabal and
Jos{\'{e}} L. Medina{-}Franco},
title = {Towards the understanding of the activity of G9a inhibitors: an activity
landscape and molecular modeling approach},
journal = {J. Comput. Aided Mol. Des.},
volume = {34},
number = {6},
pages = {659--669},
year = {2020},
url = {https://doi.org/10.1007/s10822-020-00298-x},
doi = {10.1007/S10822-020-00298-X},
timestamp = {Tue, 16 Jun 2020 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcamd/Lopez-LopezROM20.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcamd/LoschenRK20,
author = {Christoph Loschen and
Jens Reinisch and
Andreas Klamt},
title = {{COSMO-RS} based predictions for the {SAMPL6} logP challenge},
journal = {J. Comput. Aided Mol. Des.},
volume = {34},
number = {4},
pages = {385--392},
year = {2020},
url = {https://doi.org/10.1007/s10822-019-00259-z},
doi = {10.1007/S10822-019-00259-Z},
timestamp = {Sat, 30 May 2020 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcamd/LoschenRK20.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcamd/LuiGM20,
author = {Raymond Lui and
Davy Guan and
Slade Matthews},
title = {A comparison of molecular representations for lipophilicity quantitative
structure-property relationships with results from the {SAMPL6} logP
Prediction Challenge},
journal = {J. Comput. Aided Mol. Des.},
volume = {34},
number = {5},
pages = {523--534},
year = {2020},
url = {https://doi.org/10.1007/s10822-020-00279-0},
doi = {10.1007/S10822-020-00279-0},
timestamp = {Sat, 30 May 2020 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcamd/LuiGM20.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcamd/MagantiB20,
author = {Lakshmi Maganti and
Dhananjay Bhattacharyya},
title = {Sequence specificity in DNA-drug intercalation: {MD} simulation and
density functional theory approaches},
journal = {J. Comput. Aided Mol. Des.},
volume = {34},
number = {1},
pages = {83--95},
year = {2020},
url = {https://doi.org/10.1007/s10822-019-00268-y},
doi = {10.1007/S10822-019-00268-Y},
timestamp = {Sat, 30 May 2020 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcamd/MagantiB20.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcamd/MakarovM20,
author = {G. I. Makarov and
T. M. Makarova},
title = {A noncanonical binding site of linezolid revealed via molecular dynamics
simulations},
journal = {J. Comput. Aided Mol. Des.},
volume = {34},
number = {3},
pages = {281--291},
year = {2020},
url = {https://doi.org/10.1007/s10822-019-00269-x},
doi = {10.1007/S10822-019-00269-X},
timestamp = {Sat, 30 May 2020 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcamd/MakarovM20.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcamd/MecklenfeldR20,
author = {Andreas Mecklenfeld and
Gabriele Raabe},
title = {Applicability of a thermodynamic cycle approach for a force field
parametrization targeting non-aqueous solvation free energies},
journal = {J. Comput. Aided Mol. Des.},
volume = {34},
number = {1},
pages = {71--82},
year = {2020},
url = {https://doi.org/10.1007/s10822-019-00261-5},
doi = {10.1007/S10822-019-00261-5},
timestamp = {Sat, 30 May 2020 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcamd/MecklenfeldR20.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcamd/MiljkovicB20,
author = {Filip Miljkovic and
J{\"{u}}rgen Bajorath},
title = {Data structures for computational compound promiscuity analysis and
exemplary applications to inhibitors of the human kinome},
journal = {J. Comput. Aided Mol. Des.},
volume = {34},
number = {1},
pages = {1--10},
year = {2020},
url = {https://doi.org/10.1007/s10822-019-00266-0},
doi = {10.1007/S10822-019-00266-0},
timestamp = {Mon, 26 Oct 2020 00:00:00 +0100},
biburl = {https://dblp.org/rec/journals/jcamd/MiljkovicB20.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcamd/MillsG20,
author = {Alberto Mills and
Federico Gago},
title = {Atomistic insight into sequence-directed {DNA} bending and minicircle
formation propensity in the absence and presence of phased A-tracts},
journal = {J. Comput. Aided Mol. Des.},
volume = {34},
number = {3},
pages = {253--265},
year = {2020},
url = {https://doi.org/10.1007/s10822-020-00288-z},
doi = {10.1007/S10822-020-00288-Z},
timestamp = {Sat, 30 May 2020 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcamd/MillsG20.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcamd/NguyenGWW20,
author = {Duc Duy Nguyen and
Kaifu Gao and
Menglun Wang and
Guo{-}Wei Wei},
title = {MathDL: mathematical deep learning for {D3R} Grand Challenge 4},
journal = {J. Comput. Aided Mol. Des.},
volume = {34},
number = {2},
pages = {131--147},
year = {2020},
url = {https://doi.org/10.1007/s10822-019-00237-5},
doi = {10.1007/S10822-019-00237-5},
timestamp = {Mon, 01 Feb 2021 00:00:00 +0100},
biburl = {https://dblp.org/rec/journals/jcamd/NguyenGWW20.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcamd/NicolaKIA20,
author = {George Nicola and
Irina Kufareva and
Andrey V. Ilatovskiy and
Ruben Abagyan},
title = {Druggable exosites of the human kino-pocketome},
journal = {J. Comput. Aided Mol. Des.},
volume = {34},
number = {3},
pages = {219--230},
year = {2020},
url = {https://doi.org/10.1007/s10822-019-00276-y},
doi = {10.1007/S10822-019-00276-Y},
timestamp = {Sat, 30 May 2020 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcamd/NicolaKIA20.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcamd/Nikitin20,
author = {Alexei M. Nikitin},
title = {Non-zero Lennard-Jones parameters for the Toukan-Rahman water model:
more accurate calculations of the solvation free energy of organic
substances},
journal = {J. Comput. Aided Mol. Des.},
volume = {34},
number = {4},
pages = {437--441},
year = {2020},
url = {https://doi.org/10.1007/s10822-019-00256-2},
doi = {10.1007/S10822-019-00256-2},
timestamp = {Thu, 27 May 2021 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcamd/Nikitin20.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcamd/OlandersABK20,
author = {Gustav Olanders and
Hiba Alogheli and
Peter Brandt and
Anders Karl{\'{e}}n},
title = {Conformational analysis of macrocycles: comparing general and specialized
methods},
journal = {J. Comput. Aided Mol. Des.},
volume = {34},
number = {3},
pages = {231--252},
year = {2020},
url = {https://doi.org/10.1007/s10822-020-00277-2},
doi = {10.1007/S10822-020-00277-2},
timestamp = {Fri, 14 May 2021 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcamd/OlandersABK20.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcamd/OlsonCCGJHALMK20,
author = {Brian Olson and
Anthony Cruz{-}Balberdy and
Lieyang Chen and
Mossa Ghattas and
Yeonji Ji and
Kunhui Huang and
Steven Ayoub and
Tyler Luchko and
Daniel J. McKay and
Tom Kurtzman},
title = {An online repository of solvation thermodynamic and structural maps
of SARS-CoV-2 targets},
journal = {J. Comput. Aided Mol. Des.},
volume = {34},
number = {12},
pages = {1219--1228},
year = {2020},
url = {https://doi.org/10.1007/s10822-020-00341-x},
doi = {10.1007/S10822-020-00341-X},
timestamp = {Thu, 16 Sep 2021 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcamd/OlsonCCGJHALMK20.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcamd/OuimetP20,
author = {Jonathan A. Ouimet and
Andrew S. Paluch},
title = {Predicting octanol/water partition coefficients for the {SAMPL6} challenge
using the SM12, SM8, and {SMD} solvation models},
journal = {J. Comput. Aided Mol. Des.},
volume = {34},
number = {5},
pages = {575--588},
year = {2020},
url = {https://doi.org/10.1007/s10822-020-00293-2},
doi = {10.1007/S10822-020-00293-2},
timestamp = {Sat, 30 May 2020 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcamd/OuimetP20.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcamd/PaciottiACS20,
author = {Roberto Paciotti and
Mariangela Agamennone and
Cecilia Coletti and
Loriano Storchi},
title = {Characterization of {PD-L1} binding sites by a combined {FMO/GRID-DRY}
approach},
journal = {J. Comput. Aided Mol. Des.},
volume = {34},
number = {8},
pages = {897--914},
year = {2020},
url = {https://doi.org/10.1007/s10822-020-00306-0},
doi = {10.1007/S10822-020-00306-0},
timestamp = {Mon, 03 Jan 2022 00:00:00 +0100},
biburl = {https://dblp.org/rec/journals/jcamd/PaciottiACS20.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcamd/ParksGCYSWJMLBA20,
author = {Conor D. Parks and
Zied Gaieb and
Michael Chiu and
Huanwang Yang and
Chenghua Shao and
W. Patrick Walters and
Johanna M. Jansen and
Georgia B. McGaughey and
Richard A. Lewis and
Scott D. Bembenek and
Michael K. Ameriks and
Tara Mirzadegan and
Stephen K. Burley and
Rommie E. Amaro and
Michael K. Gilson},
title = {{D3R} grand challenge 4: blind prediction of protein-ligand poses,
affinity rankings, and relative binding free energies},
journal = {J. Comput. Aided Mol. Des.},
volume = {34},
number = {2},
pages = {99--119},
year = {2020},
url = {https://doi.org/10.1007/s10822-020-00289-y},
doi = {10.1007/S10822-020-00289-Y},
timestamp = {Tue, 21 Mar 2023 00:00:00 +0100},
biburl = {https://dblp.org/rec/journals/jcamd/ParksGCYSWJMLBA20.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcamd/PatelKJBW20,
author = {Prajay Patel and
David M. Kuntz and
Michael R. Jones and
Bernard R. Brooks and
Angela K. Wilson},
title = {{SAMPL6} logP challenge: machine learning and quantum mechanical approaches},
journal = {J. Comput. Aided Mol. Des.},
volume = {34},
number = {5},
pages = {495--510},
year = {2020},
url = {https://doi.org/10.1007/s10822-020-00287-0},
doi = {10.1007/S10822-020-00287-0},
timestamp = {Mon, 15 Jun 2020 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcamd/PatelKJBW20.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcamd/PathakDBCS20,
author = {Bani Kumar Pathak and
Debajyoti Das and
Sayan Bhakta and
Partha Chakrabarti and
Jayati Sengupta},
title = {Resveratrol as a nontoxic excipient stabilizes insulin in a bioactive
hexameric form},
journal = {J. Comput. Aided Mol. Des.},
volume = {34},
number = {8},
pages = {915--927},
year = {2020},
url = {https://doi.org/10.1007/s10822-020-00311-3},
doi = {10.1007/S10822-020-00311-3},
timestamp = {Fri, 05 Nov 2021 00:00:00 +0100},
biburl = {https://dblp.org/rec/journals/jcamd/PathakDBCS20.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcamd/PeronaRMMG20,
author = {Almudena Perona and
M. Piedad Ros and
Alberto Mills and
Antonio Morreale and
Federico Gago},
title = {Distinct binding of cetirizine enantiomers to human serum albumin
and the human histamine receptor H\({}_{\mbox{1}}\)},
journal = {J. Comput. Aided Mol. Des.},
volume = {34},
number = {10},
pages = {1045--1062},
year = {2020},
url = {https://doi.org/10.1007/s10822-020-00328-8},
doi = {10.1007/S10822-020-00328-8},
timestamp = {Sun, 11 Oct 2020 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcamd/PeronaRMMG20.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcamd/PrasadB20,
author = {Samarjeet Prasad and
Bernard R. Brooks},
title = {A deep learning approach for the blind logP prediction in {SAMPL6}
challenge},
journal = {J. Comput. Aided Mol. Des.},
volume = {34},
number = {5},
pages = {535--542},
year = {2020},
url = {https://doi.org/10.1007/s10822-020-00292-3},
doi = {10.1007/S10822-020-00292-3},
timestamp = {Sat, 30 May 2020 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcamd/PrasadB20.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcamd/Procacci20,
author = {Piero Procacci},
title = {A remark on the efficiency of the double-system/single-box nonequilibrium
approach in the {SAMPL6} SAMPLing challenge},
journal = {J. Comput. Aided Mol. Des.},
volume = {34},
number = {6},
pages = {635--639},
year = {2020},
url = {https://doi.org/10.1007/s10822-020-00312-2},
doi = {10.1007/S10822-020-00312-2},
timestamp = {Sat, 30 May 2020 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcamd/Procacci20.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcamd/ProcacciG20,
author = {Piero Procacci and
Guido Guarnieri},
title = {{SAMPL6} blind predictions of water-octanol partition coefficients
using nonequilibrium alchemical approaches},
journal = {J. Comput. Aided Mol. Des.},
volume = {34},
number = {4},
pages = {371--384},
year = {2020},
url = {https://doi.org/10.1007/s10822-019-00233-9},
doi = {10.1007/S10822-019-00233-9},
timestamp = {Sun, 02 Oct 2022 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcamd/ProcacciG20.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcamd/RaczK20,
author = {Anita R{\'{a}}cz and
Gy{\"{o}}rgy M. Keser{\"{u}}},
title = {Large-scale evaluation of cytochrome {P450} 2C9 mediated drug interaction
potential with machine learning-based consensus modeling},
journal = {J. Comput. Aided Mol. Des.},
volume = {34},
number = {8},
pages = {831--839},
year = {2020},
url = {https://doi.org/10.1007/s10822-020-00308-y},
doi = {10.1007/S10822-020-00308-Y},
timestamp = {Fri, 14 May 2021 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcamd/RaczK20.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcamd/RajanR20,
author = {Ravi Kumar Rajan and
Muthiah Ramanathan},
title = {Identification and neuroprotective evaluation of a potential c-Jun
N-terminal kinase 3 inhibitor through structure-based virtual screening
and in-vitro assay},
journal = {J. Comput. Aided Mol. Des.},
volume = {34},
number = {6},
pages = {671--682},
year = {2020},
url = {https://doi.org/10.1007/s10822-020-00297-y},
doi = {10.1007/S10822-020-00297-Y},
timestamp = {Sat, 30 May 2020 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcamd/RajanR20.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcamd/RedzepovicF20,
author = {Izudin Redzepovic and
Boris Furtula},
title = {Predictive potential of eigenvalue-based topological molecular descriptors},
journal = {J. Comput. Aided Mol. Des.},
volume = {34},
number = {9},
pages = {975--982},
year = {2020},
url = {https://doi.org/10.1007/s10822-020-00320-2},
doi = {10.1007/S10822-020-00320-2},
timestamp = {Thu, 13 Aug 2020 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcamd/RedzepovicF20.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcamd/RiquelmeV20,
author = {Maximiliano Riquelme and
Esteban V{\"{o}}hringer{-}Martinez},
title = {{SAMPL6} Octanol-water partition coefficients from alchemical free
energy calculations with {MBIS} atomic charges},
journal = {J. Comput. Aided Mol. Des.},
volume = {34},
number = {4},
pages = {327--334},
year = {2020},
url = {https://doi.org/10.1007/s10822-020-00281-6},
doi = {10.1007/S10822-020-00281-6},
timestamp = {Sat, 30 May 2020 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcamd/RiquelmeV20.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcamd/RizziJSAGNBPHGC20,
author = {Andrea Rizzi and
Travis Jensen and
David R. Slochower and
Matteo Aldeghi and
Vytautas Gapsys and
Dimitris Ntekoumes and
Stefano Bosisio and
Michail Papadourakis and
Niel M. Henriksen and
Bert L. de Groot and
Zoe Cournia and
Alex Dickson and
Julien Michel and
Michael K. Gilson and
Michael R. Shirts and
David L. Mobley and
John D. Chodera},
title = {The {SAMPL6} SAMPLing challenge: assessing the reliability and efficiency
of binding free energy calculations},
journal = {J. Comput. Aided Mol. Des.},
volume = {34},
number = {5},
pages = {601--633},
year = {2020},
url = {https://doi.org/10.1007/s10822-020-00290-5},
doi = {10.1007/S10822-020-00290-5},
timestamp = {Sat, 30 May 2020 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcamd/RizziJSAGNBPHGC20.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcamd/RobinsonGL20,
author = {Matthew C. Robinson and
Robert C. Glen and
Alpha A. Lee},
title = {Validating the validation: reanalyzing a large-scale comparison of
deep learning and machine learning models for bioactivity prediction},
journal = {J. Comput. Aided Mol. Des.},
volume = {34},
number = {7},
pages = {717--730},
year = {2020},
url = {https://doi.org/10.1007/s10822-019-00274-0},
doi = {10.1007/S10822-019-00274-0},
timestamp = {Fri, 14 May 2021 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcamd/RobinsonGL20.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcamd/Rodriguez-Perez20,
author = {Raquel Rodr{\'{\i}}guez{-}P{\'{e}}rez and
J{\"{u}}rgen Bajorath},
title = {Interpretation of machine learning models using shapley values: application
to compound potency and multi-target activity predictions},
journal = {J. Comput. Aided Mol. Des.},
volume = {34},
number = {10},
pages = {1013--1026},
year = {2020},
url = {https://doi.org/10.1007/s10822-020-00314-0},
doi = {10.1007/S10822-020-00314-0},
timestamp = {Fri, 14 May 2021 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcamd/Rodriguez-Perez20.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcamd/Sanchez-Marquez20,
author = {Jes{\'{u}}s S{\'{a}}nchez{-}M{\'{a}}rquez and
Victor Garc{\'{\i}}a and
David Zorrilla and
Manuel Fern{\'{a}}ndez},
title = {Software to obtain spatially localized functions from different radial
functions},
journal = {J. Comput. Aided Mol. Des.},
volume = {34},
number = {3},
pages = {267--280},
year = {2020},
url = {https://doi.org/10.1007/s10822-019-00272-2},
doi = {10.1007/S10822-019-00272-2},
timestamp = {Mon, 26 Oct 2020 00:00:00 +0100},
biburl = {https://dblp.org/rec/journals/jcamd/Sanchez-Marquez20.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcamd/SarfarazML20,
author = {Sara Sarfaraz and
Iqra Muneer and
Haiyan Liu},
title = {Combining fragment docking with graph theory to improve ligand docking
for homology model structures},
journal = {J. Comput. Aided Mol. Des.},
volume = {34},
number = {12},
pages = {1237--1259},
year = {2020},
url = {https://doi.org/10.1007/s10822-020-00345-7},
doi = {10.1007/S10822-020-00345-7},
timestamp = {Wed, 07 Dec 2022 00:00:00 +0100},
biburl = {https://dblp.org/rec/journals/jcamd/SarfarazML20.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcamd/SasmalEM20,
author = {Sukanya Sasmal and
Lea El{-}Khoury and
David L. Mobley},
title = {{D3R} Grand Challenge 4: ligand similarity and MM-GBSA-based pose
prediction and affinity ranking for {BACE-1} inhibitors},
journal = {J. Comput. Aided Mol. Des.},
volume = {34},
number = {2},
pages = {163--177},
year = {2020},
url = {https://doi.org/10.1007/s10822-019-00249-1},
doi = {10.1007/S10822-019-00249-1},
timestamp = {Sat, 30 May 2020 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcamd/SasmalEM20.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcamd/Sixto-LopezBC20,
author = {Yudibeth Sixto{-}L{\'{o}}pez and
Martiniano Bello and
Jos{\'{e}} Correa{-}Basurto},
title = {Exploring the inhibitory activity of valproic acid against the {HDAC}
family using an {MMGBSA} approach},
journal = {J. Comput. Aided Mol. Des.},
volume = {34},
number = {8},
pages = {857--878},
year = {2020},
url = {https://doi.org/10.1007/s10822-020-00304-2},
doi = {10.1007/S10822-020-00304-2},
timestamp = {Mon, 26 Oct 2020 00:00:00 +0100},
biburl = {https://dblp.org/rec/journals/jcamd/Sixto-LopezBC20.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcamd/SoniBJ20,
author = {Anjali Soni and
Ruchika Bhat and
Bhyravabhotla Jayaram},
title = {Improving the binding affinity estimations of protein-ligand complexes
using machine-learning facilitated force field method},
journal = {J. Comput. Aided Mol. Des.},
volume = {34},
number = {8},
pages = {817--830},
year = {2020},
url = {https://doi.org/10.1007/s10822-020-00305-1},
doi = {10.1007/S10822-020-00305-1},
timestamp = {Sat, 30 Sep 2023 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcamd/SoniBJ20.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcamd/StroganovNMDGSC20,
author = {Oleg V. Stroganov and
Fedor N. Novikov and
Michael G. Medvedev and
Artem O. Dmitrienko and
Igor S. Gerasimov and
Igor V. Svitanko and
Ghermes G. Chilov},
title = {The role of human in the loop: lessons from {D3R} challenge 4},
journal = {J. Comput. Aided Mol. Des.},
volume = {34},
number = {2},
pages = {121--130},
year = {2020},
url = {https://doi.org/10.1007/s10822-020-00291-4},
doi = {10.1007/S10822-020-00291-4},
timestamp = {Wed, 06 Mar 2024 00:00:00 +0100},
biburl = {https://dblp.org/rec/journals/jcamd/StroganovNMDGSC20.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcamd/StumpfeHB20,
author = {Dagmar Stumpfe and
Huabin Hu and
J{\"{u}}rgen Bajorath},
title = {Advances in exploring activity cliffs},
journal = {J. Comput. Aided Mol. Des.},
volume = {34},
number = {9},
pages = {929--942},
year = {2020},
url = {https://doi.org/10.1007/s10822-020-00315-z},
doi = {10.1007/S10822-020-00315-Z},
timestamp = {Fri, 14 May 2021 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcamd/StumpfeHB20.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcamd/SunHLZ20,
author = {Zhaoxi Sun and
Qiao{-}Le He and
Xiao Li and
Zhengdan Zhu},
title = {{SAMPL6} host-guest binding affinities and binding poses from spherical-coordinates-biased
simulations},
journal = {J. Comput. Aided Mol. Des.},
volume = {34},
number = {5},
pages = {589--600},
year = {2020},
url = {https://doi.org/10.1007/s10822-020-00294-1},
doi = {10.1007/S10822-020-00294-1},
timestamp = {Thu, 23 Jun 2022 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcamd/SunHLZ20.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcamd/SzwabowskiCSWCB20,
author = {Gregory L. Szwabowski and
Paige N. Castleman and
Chandler K. Sears and
Lee H. Wink and
Judith A. Cole and
Daniel L. Baker and
Abby L. Parrill},
title = {Benchmarking {GPCR} homology model template selection in combination
with de novo loop generation},
journal = {J. Comput. Aided Mol. Des.},
volume = {34},
number = {10},
pages = {1027--1044},
year = {2020},
url = {https://doi.org/10.1007/s10822-020-00325-x},
doi = {10.1007/S10822-020-00325-X},
timestamp = {Sun, 02 Oct 2022 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcamd/SzwabowskiCSWCB20.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcamd/Thiruchittampalam20,
author = {Shalini Thiruchittampalam and
Samantha Weerasinghe},
title = {Plausible compounds drawn from plants as curative agents for neurodegeneration:
An in-silico approach},
journal = {J. Comput. Aided Mol. Des.},
volume = {34},
number = {9},
pages = {1003--1011},
year = {2020},
url = {https://doi.org/10.1007/s10822-020-00322-0},
doi = {10.1007/S10822-020-00322-0},
timestamp = {Thu, 14 Oct 2021 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcamd/Thiruchittampalam20.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcamd/TielkerTEGK20,
author = {Nicolas Tielker and
Daniel Tomazic and
Lukas Eberlein and
Stefan G{\"{u}}ssregen and
Stefan M. Kast},
title = {The {SAMPL6} challenge on predicting octanol-water partition coefficients
from {EC-RISM} theory},
journal = {J. Comput. Aided Mol. Des.},
volume = {34},
number = {4},
pages = {453--461},
year = {2020},
url = {https://doi.org/10.1007/s10822-020-00283-4},
doi = {10.1007/S10822-020-00283-4},
timestamp = {Fri, 14 May 2021 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcamd/TielkerTEGK20.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcamd/TikhonovLYYZ20,
author = {Denis B. Tikhonov and
Lianyun Lin and
Daniel S. C. Yang and
Zhiguang Yuchi and
Boris S. Zhorov},
title = {Phenylalkylamines in calcium channels: computational analysis of experimental
structures},
journal = {J. Comput. Aided Mol. Des.},
volume = {34},
number = {11},
pages = {1157--1169},
year = {2020},
url = {https://doi.org/10.1007/s10822-020-00330-0},
doi = {10.1007/S10822-020-00330-0},
timestamp = {Tue, 20 Oct 2020 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcamd/TikhonovLYYZ20.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcamd/TripathiSTTSSS20,
author = {Manish Kumar Tripathi and
Piyoosh Sharma and
Avanish Tripathi and
Prabhash Nath Tripathi and
Pavan Srivastava and
Ankit Seth and
Sushant Kumar Shrivastava},
title = {Computational exploration and experimental validation to identify
a dual inhibitor of cholinesterase and amyloid-beta for the treatment
of Alzheimer's disease},
journal = {J. Comput. Aided Mol. Des.},
volume = {34},
number = {9},
pages = {983--1002},
year = {2020},
url = {https://doi.org/10.1007/s10822-020-00318-w},
doi = {10.1007/S10822-020-00318-W},
timestamp = {Sat, 30 Sep 2023 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcamd/TripathiSTTSSS20.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcamd/VangalaSPM20,
author = {Radhika Vangala and
Sree Kanth Sivan and
Saikiran Reddy Peddi and
Vijjulatha Manga},
title = {Computational design, synthesis and evaluation of new sulphonamide
derivatives targeting {HIV-1} gp120},
journal = {J. Comput. Aided Mol. Des.},
volume = {34},
number = {1},
pages = {39--54},
year = {2020},
url = {https://doi.org/10.1007/s10822-019-00258-0},
doi = {10.1007/S10822-019-00258-0},
timestamp = {Mon, 26 Oct 2020 00:00:00 +0100},
biburl = {https://dblp.org/rec/journals/jcamd/VangalaSPM20.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcamd/WangN20,
author = {Bo Wang and
Ho{-}Leung Ng},
title = {Deep neural network affinity model for {BACE} inhibitors in {D3R}
Grand Challenge 4},
journal = {J. Comput. Aided Mol. Des.},
volume = {34},
number = {2},
pages = {201--217},
year = {2020},
url = {https://doi.org/10.1007/s10822-019-00275-z},
doi = {10.1007/S10822-019-00275-Z},
timestamp = {Sat, 30 May 2020 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcamd/WangN20.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcamd/WangR20,
author = {Shuzhe Wang and
Sereina Riniker},
title = {Use of molecular dynamics fingerprints (MDFPs) in {SAMPL6} octanol-water
log {P} blind challenge},
journal = {J. Comput. Aided Mol. Des.},
volume = {34},
number = {4},
pages = {393--403},
year = {2020},
url = {https://doi.org/10.1007/s10822-019-00252-6},
doi = {10.1007/S10822-019-00252-6},
timestamp = {Sat, 30 May 2020 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcamd/WangR20.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcamd/WangRZ20,
author = {Huiqun Wang and
Bethany A. Reinecke and
Yan Zhang},
title = {Computational insights into the molecular mechanisms of differentiated
allosteric modulation at the mu opioid receptor by structurally similar
bitopic modulators},
journal = {J. Comput. Aided Mol. Des.},
volume = {34},
number = {8},
pages = {879--895},
year = {2020},
url = {https://doi.org/10.1007/s10822-020-00309-x},
doi = {10.1007/S10822-020-00309-X},
timestamp = {Tue, 13 Oct 2020 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcamd/WangRZ20.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcamd/WebelKRNNV20,
author = {Henry E. Webel and
Talia B. Kimber and
Silke Radetzki and
Martin Neuenschwander and
Marc Nazar{\'{e}} and
Andrea Volkamer},
title = {Revealing cytotoxic substructures in molecules using deep learning},
journal = {J. Comput. Aided Mol. Des.},
volume = {34},
number = {7},
pages = {731--746},
year = {2020},
url = {https://doi.org/10.1007/s10822-020-00310-4},
doi = {10.1007/S10822-020-00310-4},
timestamp = {Fri, 14 May 2021 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcamd/WebelKRNNV20.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcamd/XiaKPT20,
author = {Zhonghua Xia and
Pavel Karpov and
Grzegorz M. Popowicz and
Igor V. Tetko},
title = {Focused Library Generator: case of Mdmx inhibitors},
journal = {J. Comput. Aided Mol. Des.},
volume = {34},
number = {7},
pages = {769--782},
year = {2020},
url = {https://doi.org/10.1007/s10822-019-00242-8},
doi = {10.1007/S10822-019-00242-8},
timestamp = {Wed, 15 Jun 2022 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcamd/XiaKPT20.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcamd/XuZCLSRLZC20,
author = {Xiaoqian Xu and
Li Zhang and
Ying Cai and
Dongxin Liu and
Zhengwen Shang and
Qiuhong Ren and
Qiong Li and
Weidong Zhao and
Yuhua Chen},
title = {Inhibitor discovery for the E. coli meningitis virulence factor IbeA
from homology modeling and virtual screening},
journal = {J. Comput. Aided Mol. Des.},
volume = {34},
number = {1},
pages = {11--25},
year = {2020},
url = {https://doi.org/10.1007/s10822-019-00250-8},
doi = {10.1007/S10822-019-00250-8},
timestamp = {Sat, 30 May 2020 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcamd/XuZCLSRLZC20.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcamd/YauEL20,
author = {Mei Qian Yau and
Abigail L. Emtage and
Jason S. E. Loo},
title = {Benchmarking the performance of {MM/PBSA} in virtual screening enrichment
using the GPCR-Bench dataset},
journal = {J. Comput. Aided Mol. Des.},
volume = {34},
number = {11},
pages = {1133--1145},
year = {2020},
url = {https://doi.org/10.1007/s10822-020-00339-5},
doi = {10.1007/S10822-020-00339-5},
timestamp = {Mon, 03 Jan 2022 00:00:00 +0100},
biburl = {https://dblp.org/rec/journals/jcamd/YauEL20.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcamd/YazarO20,
author = {Metin Yazar and
Pemra Ozbek},
title = {Revisiting allostery in CREB-binding protein {(CBP)} using residue-based
interaction energy},
journal = {J. Comput. Aided Mol. Des.},
volume = {34},
number = {9},
pages = {965--974},
year = {2020},
url = {https://doi.org/10.1007/s10822-020-00316-y},
doi = {10.1007/S10822-020-00316-Y},
timestamp = {Thu, 13 Aug 2020 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcamd/YazarO20.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcamd/YonchevB20,
author = {Dimitar G. Yonchev and
J{\"{u}}rgen Bajorath},
title = {DeepCOMO: from structure-activity relationship diagnostics to generative
molecular design using the compound optimization monitor methodology},
journal = {J. Comput. Aided Mol. Des.},
volume = {34},
number = {12},
pages = {1207--1218},
year = {2020},
url = {https://doi.org/10.1007/s10822-020-00349-3},
doi = {10.1007/S10822-020-00349-3},
timestamp = {Sat, 30 Sep 2023 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcamd/YonchevB20.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcamd/ZamoraPGRCL20,
author = {William J. Zamora and
Silvana Pinheiro and
Kilian German and
Clara P{\'{e}}rez{-}R{\`{a}}fols and
Carles Curutchet and
F. Javier Luque},
title = {Prediction of the n-octanol/water partition coefficients in the {SAMPL6}
blind challenge from {MST} continuum solvation calculations},
journal = {J. Comput. Aided Mol. Des.},
volume = {34},
number = {4},
pages = {443--451},
year = {2020},
url = {https://doi.org/10.1007/s10822-019-00262-4},
doi = {10.1007/S10822-019-00262-4},
timestamp = {Mon, 25 Apr 2022 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcamd/ZamoraPGRCL20.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
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