Paul C. Sanschagrin

Extra Precision Glide:  Docking and Scoring Incorporating a Model of Hydrophobic Enclosure for Protein−Ligand Complexes

Richard A. Friesner, Robert B. Murphy, Matthew P. Repasky et al. · Journal of Medicinal Chemistry · 2006 · 6.9K citations

Pharmacy, Medicinal Chemistry, Computational Chemistry +16

Collaboration gets the most out of software

Andrew Morin, Ben Eisenbraun, Jason Key et al. · eLife · 2013 · 1.2K citations · Full text

Computing, Computer Science, Grid Computing +9

Predicting conserved water-mediated and polar ligand interactions in proteins using a K-nearest-neighbors genetic algorithm

Michael L. Raymer, Paul C. Sanschagrin, William F. Punch et al. · Journal of Molecular Biology · 1997 · 164 citations · Full text

Life Sciences, Bioinformatics, Molecular Biology +14

SFCscore: Scoring functions for affinity prediction of protein–ligand complexes

Christoph Sotriffer, Paul C. Sanschagrin, Hans Matter et al. · Proteins Structure Function and Bioinformatics · 2008 · 122 citations

Pharmacy, Medicinal Chemistry, Pharmacology +17

Distilling the essential features of a protein surface for improving protein-ligand docking, scoring, and virtual screening

Maria I. Zavodszky, Paul C. Sanschagrin, Leslie A. Kuhn et al. · Journal of Computer-Aided Molecular Design · 2002 · 95 citations

Life Sciences, Biochemistry, Medicinal Chemistry +17