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ORCIDDavid J. Diller
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2010 – 2019
- 2018
[j12]Kyle I. Diller, Alexander S. Bayden, Joseph Audie, David J. Diller
:
PeptideNavigator: An interactive tool for exploring large and complex data sets generated during peptide-based drug design projects. Comput. Biol. Medicine 92: 176-187 (2018)- 2015
- [j11]David J. Diller, Nancy D. Connell, William J. Welsh:
Avalanche for shape and feature-based virtual screening with 3D alignment. J. Comput. Aided Mol. Des. 29(11): 1015-1024 (2015) - 2014
- [j10]Kyle I. Diller, David J. Diller:
VSViewer3D: A Tool for Interactive Data Mining of Three-Dimensional Virtual Screening Data. J. Chem. Inf. Model. 54(12): 3446-3452 (2014) - 2010
- [j9]Kristi Yi Fan, Raymond J. Unwalla, Rajiah Aldrin Denny, Li Di, Edward H. Kerns, David J. Diller, Christine Humblet:
Insights for Predicting Blood-Brain Barrier Penetration of CNS Targeted Molecules Using QSPR Approaches. J. Chem. Inf. Model. 50(6): 1123-1133 (2010)
2000 – 2009
- 2008
- [j8]Andrei Anghelescu, Robert Kirk DeLisle, Jeffrey F. Lowrie, Anthony E. Klon, Xiaoming Xie, David J. Diller:
Technique for Generating Three-Dimensional Alignments of Multiple Ligands from One-Dimensional Alignments. J. Chem. Inf. Model. 48(5): 1041-1054 (2008) - 2007
- [j7]David J. Diller, Doug W. Hobbs:
Understanding hERG inhibition with QSAR models based on a one-dimensional molecular representation. J. Comput. Aided Mol. Des. 21(7): 379-393 (2007) - [j6]Anthony E. Klon, David J. Diller:
Library Fingerprints: A Novel Approach to the Screening of Virtual Libraries. J. Chem. Inf. Model. 47(4): 1354-1365 (2007) - 2006
- [j5]Anthony E. Klon, Jeffrey F. Lowrie, David J. Diller:
Improved Naïve Bayesian Modeling of Numerical Data for Absorption, Distribution, Metabolism and Excretion (ADME) Property Prediction. J. Chem. Inf. Model. 46(5): 1945-1956 (2006) - 2003
- [c3]Jeffrey M. Bradshaw, Andrzej Uszok, Renia Jeffers, Niranjan Suri, Patrick J. Hayes, Mark H. Burstein, Alessandro Acquisti, Brett Benyo, Maggie R. Breedy, Marco M. Carvalho, David J. Diller, Matt Johnson, Shriniwas Kulkarni, James Lott, Maarten Sierhuis, Ron van Hoof:
Representation and reasoning for DAML-based policy and domain services in KAoS and nomads. AAMAS 2003: 835-842 - [c2]Niranjan Suri, Jeffrey M. Bradshaw, Andrzej Uszok, Maggie R. Breedy, Marco M. Carvalho, Paul Groth, Renia Jeffers, Matt Johnson, Shriniwas Kulkarni, James Lott, Mark H. Burstein, Brett Benyo, David J. Diller:
Toward DAML-based policy enforcement for semantic data transformation and filtering in multi-agent systems. AAMAS 2003: 1132-1133 - [c1]Niranjan Suri, Jeffrey M. Bradshaw, Mark H. Burstein, Andrzej Uszok, Brett Benyo, Maggie R. Breedy, Marco M. Carvalho, David J. Diller, Renia Jeffers, Matt Johnson, Shriniwas Kulkarni, James Lott:
DAML-Based Policy Enforcement for Semantic Data Transformation and Filtering in Multi-agent Systems. CEEMAS 2003: 122-135 - 2002
- [j4]David J. Diller, Kenneth M. Merz Jr.:
Can we separate active from inactive conformations? J. Comput. Aided Mol. Des. 16(2): 105-112 (2002) - [j3]Ailan Cheng, David J. Diller, Steven L. Dixon, William J. Egan, George Lauri, Kenneth M. Merz Jr.:
Computation of the physio-chemical properties and data mining of large molecular collections. J. Comput. Chem. 23(1): 172-183 (2002) - [j2]Evan A. Hecker, Chaya Duraiswami, Tariq A. Andrea, David J. Diller:
Use of Catalyst Pharmacophore Models for Screening of Large Combinatorial Libraries. J. Chem. Inf. Comput. Sci. 42(5): 1204-1211 (2002)
1990 – 1999
- 1999
- [j1]David J. Diller, Christophe L. M. J. Verlinde:
A critical evaluation of several global optimization algorithms for the purpose of molecular docking. J. Comput. Chem. 20(16): 1740-1751 (1999)
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