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Proceedings of the National Academy of Sciences of the United States of America|March 1, 1985
Structure of proteins with single-site mutations: a minimum perturbation approachH H Shih, J Brady, M KarplusNature Structural Biology|March 1, 1997
A comparison between molecular dynamics and X-ray results for dissociated CO in myoglobinD Vitkup, G A Petsko, M KarplusProceedings of the National Academy of Sciences of the United States of America|August 4, 1999
Understanding beta-hairpin formationA R Dinner, T Lazaridis, M KarplusJournal of Biomolecular Structure & Dynamics|March 1, 1984
Diffusion-collision model for the folding kinetics of the lambda-repressor operator-binding domainD Bashford, D L Weaver, M KarplusFolding & Design|November 10, 1998
Protein sidechain conformer prediction: a test of the energy functionR J Petrella, T Lazaridis, M KarplusJournal of Molecular Biology|January 8, 1999
Characterization of flexible molecules in solution: the RGDW peptideC Bartels, R H Stote, M KarplusJournal of Chemical Information and Computer Sciences|December 26, 2001
Development of quantitative structure-property relationship models for early ADME evaluation in drug discovery. 1. Aqueous solubilityR Liu, S S SoProceedings of the National Academy of Sciences of the United States of America|November 1, 1990
Free energy of sickling: A simulation analysisK Kuczera, J Gao, B Tidor, et al.Biochemistry|July 16, 1985
Vicinal coupling constants and protein dynamicsJ C Hoch, C M Dobson, M KarplusProteins|September 19, 1997
Use of the multiple copy simultaneous search (MCSS) method to design a new class of picornavirus capsid binding drugsD Joseph-McCarthy, J M Hogle, M KarplusPageof 28