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Journal of Computer-Aided Molecular Design|February 1, 1996
Functionality map analysis of the active site cleft of human thrombinP D Grootenhuis, M KarplusBiopolymers|December 1, 1990
Conformational sampling using high-temperature molecular dynamicsR E Bruccoleri, M KarplusJournal of Computer-Aided Molecular Design|November 2, 2001
Evaluation of designed ligands by a multiple screening method: application to glycogen phosphorylase inhibitors constructed with a variety of approachesS S So, M KarplusJournal of Molecular Biology|October 3, 2001
The energetics of off-rotamer protein side-chain conformationsR J Petrella, M KarplusJournal of Molecular Biology|December 20, 1989
Construction of side-chains in homology modelling. Application to the C-terminal lobe of rhizopuspepsinN L Summers, M KarplusJournal of Medicinal Chemistry|January 22, 1998
Three-dimensional quantitative structure-activity relationships from molecular similarity matrices and genetic neural networks. 1. Method and validationsS S So, M KarplusNature Structural Biology|March 21, 1998
A metastable state in folding simulations of a protein modelA R Dinner, M KarplusJournal of Computer-Aided Molecular Design|April 27, 1999
A comparative study of ligand-receptor complex binding affinity prediction methods based on glycogen phosphorylase inhibitorsS S So, M KarplusProteins|June 8, 2000
Dynamic ligand design and combinatorial optimization: designing inhibitors to endothiapepsinC M Stultz, M KarplusPageof 139