David J. Diller

15 papers A 2Journal 12Unranked 1

Year	Rank	Type	Title / Venue / Authors
2018	J	`jnl`	PeptideNavigator: An interactive tool for exploring large and complex data sets generated during peptide-based drug design projects. Comput. Biol. Medicine Kyle I. Diller, Alexander S. Bayden, Joseph Audie, David J. Diller
2015	J	`jnl`	Avalanche for shape and feature-based virtual screening with 3D alignment. J. Comput. Aided Mol. Des. David J. Diller, Nancy D. Connell, William J. Welsh
2014	J	`jnl`	VSViewer3D: A Tool for Interactive Data Mining of Three-Dimensional Virtual Screening Data. J. Chem. Inf. Model. Kyle I. Diller, David J. Diller
2010	J	`jnl`	Insights for Predicting Blood-Brain Barrier Penetration of CNS Targeted Molecules Using QSPR Approaches. J. Chem. Inf. Model. Kristi Yi Fan, Raymond J. Unwalla, Rajiah Aldrin Denny, Li Di, Edward H. Kerns, David J. Diller, Christine Humblet
2008	J	`jnl`	Technique for Generating Three-Dimensional Alignments of Multiple Ligands from One-Dimensional Alignments. J. Chem. Inf. Model. Andrei Anghelescu, Robert Kirk DeLisle, Jeffrey F. Lowrie, Anthony E. Klon, Xiaoming Xie, David J. Diller
2007	J	`jnl`	Library Fingerprints: A Novel Approach to the Screening of Virtual Libraries. J. Chem. Inf. Model. Anthony E. Klon, David J. Diller
2007	J	`jnl`	Understanding hERG inhibition with QSAR models based on a one-dimensional molecular representation. J. Comput. Aided Mol. Des. David J. Diller, Doug W. Hobbs
2006	J	`jnl`	Improved Naïve Bayesian Modeling of Numerical Data for Absorption, Distribution, Metabolism and Excretion (ADME) Property Prediction. J. Chem. Inf. Model. Anthony E. Klon, Jeffrey F. Lowrie, David J. Diller
2003	—	`conf`	DAML-Based Policy Enforcement for Semantic Data Transformation and Filtering in Multi-agent Systems. CEEMAS 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
2003	A	`conf`	Representation and reasoning for DAML-based policy and domain services in KAoS and nomads. AAMAS 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
2003	A	`conf`	Toward DAML-based policy enforcement for semantic data transformation and filtering in multi-agent systems. AAMAS 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
2002	J	`jnl`	Can we separate active from inactive conformations? J. Comput. Aided Mol. Des. David J. Diller, Kenneth M. Merz Jr.
2002	J	`jnl`	Computation of the physio-chemical properties and data mining of large molecular collections. J. Comput. Chem. Ailan Cheng, David J. Diller, Steven L. Dixon, William J. Egan, George Lauri, Kenneth M. Merz Jr.
2002	J	`jnl`	Use of Catalyst Pharmacophore Models for Screening of Large Combinatorial Libraries. J. Chem. Inf. Comput. Sci. Evan A. Hecker, Chaya Duraiswami, Tariq A. Andrea, David J. Diller
1999	J	`jnl`	A critical evaluation of several global optimization algorithms for the purpose of molecular docking. J. Comput. Chem. David J. Diller, Christophe L. M. J. Verlinde