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Joshua T. Horton

Josh T. Horton

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affiliation: Newcastle University, UK

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2020 – today

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2022
[j4]
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  - journals/jcisd/HortonBWMGDBRMC22
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Joshua T. Horton, Simon Boothroyd, Jeffrey Wagner, Joshua A. Mitchell, Trevor Gokey, David L. Dotson, Pavan Kumar Behara, Venkata Krishnan Ramaswamy, Mark Mackey, John D. Chodera, Jamshed Anwar, David L. Mobley, Daniel J. Cole:
Open Force Field BespokeFit: Automating Bespoke Torsion Parametrization at Scale. J. Chem. Inf. Model. 62(22): 5622-5633 (2022)
[j3]
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Lorenzo D'amore, David F. Hahn, David L. Dotson, Joshua T. Horton, Jamshed Anwar, Ian Craig, Thomas Fox, Alberto Gobbi, Sirish Kaushik Lakkaraju, Xavier Lucas, Katharina Meier, David L. Mobley, Arjun Narayanan, Christina E. M. Schindler, William C. Swope, Pieter J. in 't Veld, Jeffrey Wagner, Bai Xue, Gary Tresadern:
Collaborative Assessment of Molecular Geometries and Energies from the Open Force Field. J. Chem. Inf. Model. 62(23): 6094-6104 (2022)
[i1]
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Peter K. Eastman, Pavan Kumar Behara, David L. Dotson, Raimondas Galvelis, John E. Herr, Josh T. Horton, Yuezhi Mao, John D. Chodera, Benjamin P. Pritchard, Yuanqing Wang, Gianni De Fabritiis, Thomas E. Markland:
SPICE, A Dataset of Drug-like Molecules and Peptides for Training Machine Learning Potentials. CoRR abs/2209.10702 (2022)
2021
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Lauren Nelson, Sofia Bariami, Chris Ringrose, Joshua T. Horton, Vadiraj Kurdekar, Antonia S. J. S. Mey, Julien Michel, Daniel J. Cole:
Implementation of the QUBE Force Field in SOMD for High-Throughput Alchemical Free-Energy Calculations. J. Chem. Inf. Model. 61(5): 2124-2130 (2021)

2010 – 2019

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2019
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Joshua T. Horton, Alice E. A. Allen, Leela S. Dodda, Daniel J. Cole:
QUBEKit: Automating the Derivation of Force Field Parameters from Quantum Mechanics. J. Chem. Inf. Model. 59(4): 1366-1381 (2019)

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