Surflex-QMOD: physically meaningful QSAR

by Steudle, Alexander, Varela, Rocco, Jain, Ajay N
Published 2014

Knowledge-guided docking: accurate prospective prediction of bound configurations of novel ligands using Surflex-Dock

by Cleves, Ann E., Jain, Ajay N.
Published 2015

Extrapolative prediction using physically-based QSAR

by Cleves, Ann E., Jain, Ajay N.
Published 2016

Chemical and protein structural basis for biological crosstalk between PPARα and COX enzymes

by Cleves, Ann E., Jain, Ajay N.
Published 2014

A structure-guided approach for protein pocket modeling and affinity prediction

by Varela, Rocco, Cleves, Ann E., Spitzer, Russell, Jain, Ajay N.
Published 2013

Iterative Refinement of a Binding Pocket Model: Active Computational Steering of Lead Optimization

by Varela, Rocco, Walters, W. Patrick, Goldman, Brian B., Jain, Ajay N.
Published 2012

Breast tumor copy number aberration phenotypes and genomic instability

by Fridlyand, Jane, Snijders, Antoine M, Ylstra, Bauke, Li, Hua, Olshen, Adam, Segraves, Richard, Dairkee, Shanaz, Tokuyasu, Taku, Ljung, Britt Marie, Jain, Ajay N, McLennan, Jane, Ziegler, John, Chin, Koei, Devries, Sandy, Feiler, Heidi, Gray, Joe W, Waldman, Frederic, Pinkel, Daniel, Albertson, Donna G
Published 2006