Paul S. Charifson

Consensus Scoring:  A Method for Obtaining Improved Hit Rates from Docking Databases of Three-Dimensional Structures into Proteins

Paul S. Charifson, Joseph J. Corkery, Mark A. Murcko et al. · Journal of Medicinal Chemistry · 1999 · 686 citations

Pharmacy, Bioinformatics, Medicinal Chemistry +17

Conformational Analysis of Drug-Like Molecules Bound to Proteins:  An Extensive Study of Ligand Reorganization upon Binding

Emanuele Perola, Paul S. Charifson · Journal of Medicinal Chemistry · 2004 · 448 citations

Natural Sciences, Biophysics, Medicinal Chemistry +15

A detailed comparison of current docking and scoring methods on systems of pharmaceutical relevance

Emanuele Perola, W. Patrick Walters, Paul S. Charifson · Proteins Structure Function and Bioinformatics · 2004 · 448 citations

Pharmacy, Medicinal Chemistry, Pharmacology +17

(S)-1-((S)-2-{[1-(4-Amino-3-chloro-phenyl)-methanoyl]-amino}-3,3-dimethyl-butanoyl)-pyrrolidine-2-carboxylic acid ((2 R,3 S)-2-ethoxy-5-oxo-tetrahydro-furan-3-yl)-amide (VX-765), an Orally Available Selective Interleukin (IL)-Converting Enzyme/Caspase-1 Inhibitor, Exhibits Potent Anti-Inflammatory Activities by Inhibiting the Release of IL-1β and IL-18

Woods Wannamaker, Robert M. D. Davies, Mark Namchuk et al. · Journal of Pharmacology and Experimental Therapeutics · 2007 · 319 citations

Medicine, Medicinal Chemistry, Pharmacology +17

Are Free Energy Calculations Useful in Practice? A Comparison with Rapid Scoring Functions for the p38 MAP Kinase Protein System

David A. Pearlman, Paul S. Charifson · Journal of Medicinal Chemistry · 2001 · 225 citations · Full text

Natural Sciences, Biophysics, Pharmacology +17