David J. Diller

According to our database, David J. Diller authored at least 15 papers between 1999 and 2018.

Collaborative distances:

• Dijkstra number of four.
• Erdős number of four.

2018

PeptideNavigator: An interactive tool for exploring large and complex data sets generated during peptide-based drug design projects.

Kyle I. Diller, Alexander S. Bayden, Joseph Audie, David J. Diller

Comput. Biol. Medicine, 2018

2015

Avalanche for shape and feature-based virtual screening with 3D alignment.

David J. Diller, Nancy D. Connell, William J. Welsh

J. Comput. Aided Mol. Des., 2015

2014

VSViewer3D: A Tool for Interactive Data Mining of Three-Dimensional Virtual Screening Data.

Kyle I. Diller, David J. Diller

J. Chem. Inf. Model., 2014

2010

Insights for Predicting Blood-Brain Barrier Penetration of CNS Targeted Molecules Using QSPR Approaches.

Kristi Yi Fan, Raymond J. Unwalla, Rajiah Aldrin Denny, Li Di, Edward H. Kerns, David J. Diller, Christine Humblet

J. Chem. Inf. Model., 2010

2008

Technique for Generating Three-Dimensional Alignments of Multiple Ligands from One-Dimensional Alignments.

Andrei Anghelescu, Robert Kirk DeLisle, Jeffrey F. Lowrie, Anthony E. Klon, Xiaoming Xie, David J. Diller

J. Chem. Inf. Model., 2008

2007

Library Fingerprints: A Novel Approach to the Screening of Virtual Libraries.

Anthony E. Klon, David J. Diller

J. Chem. Inf. Model., 2007

Understanding hERG inhibition with QSAR models based on a one-dimensional molecular representation.

David J. Diller, Doug W. Hobbs

J. Comput. Aided Mol. Des., 2007

2006

Improved Naïve Bayesian Modeling of Numerical Data for Absorption, Distribution, Metabolism and Excretion (ADME) Property Prediction.

Anthony E. Klon, Jeffrey F. Lowrie, David J. Diller

J. Chem. Inf. Model., 2006

2003

DAML-Based Policy Enforcement for Semantic Data Transformation and Filtering in Multi-agent Systems.

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

Proceedings of the Multi-Agent Systems and Applications III, 2003

Toward DAML-based policy enforcement for semantic data transformation and filtering in multi-agent systems.

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

Proceedings of the Second International Joint Conference on Autonomous Agents & Multiagent Systems, 2003

Representation and reasoning for DAML-based policy and domain services in KAoS and nomads.

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

Proceedings of the Second International Joint Conference on Autonomous Agents & Multiagent Systems, 2003

2002

Use of Catalyst Pharmacophore Models for Screening of Large Combinatorial Libraries.

Evan A. Hecker, Chaya Duraiswami, Tariq A. Andrea, David J. Diller

J. Chem. Inf. Comput. Sci., 2002

Computation of the physio-chemical properties and data mining of large molecular collections.

Ailan Cheng, David J. Diller, Steven L. Dixon, William J. Egan, George Lauri, Kenneth M. Merz Jr.

J. Comput. Chem., 2002

Can we separate active from inactive conformations?

David J. Diller, Kenneth M. Merz Jr.

J. Comput. Aided Mol. Des., 2002

1999

A critical evaluation of several global optimization algorithms for the purpose of molecular docking.

David J. Diller, Christophe L. M. J. Verlinde

J. Comput. Chem., 1999