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Proteins|October 21, 1998
Use of quantitative structure-property relationships to predict the folding ability of model proteinsA R Dinner, S S So, M KarplusJournal of Molecular Biology|February 16, 2002
Forces and energetics of hapten-antibody dissociation: a biased molecular dynamics simulation studyE Paci, A Caflisch, A Plückthun, et al.Journal of Molecular Biology|April 7, 1995
pH dependence of binding reactions from free energy simulations and macroscopic continuum electrostatic calculations: application to 2'GMP/3'GMP binding to ribonuclease T1 and implications for catalysisA D MacKerell, M S Sommer, M KarplusScience (New York, N.Y.)|June 2, 1989
Hidden thermodynamics of mutant proteins: a molecular dynamics analysisJ Gao, K Kuczera, B Tidor, et al.Biochemistry|February 10, 1987
1H NMR aromatic spectrum of the operator binding domain of the lambda repressor: resonance assignment with application to structure and dynamicsM A Weiss, M Karplus, R T SauerJournal of Molecular Biology|March 21, 1998
Specific amino acid recognition by aspartyl-tRNA synthetase studied by free energy simulationsG Archontis, T Simonson, D Moras, et al.Proceedings of the National Academy of Sciences of the United States of America|December 1, 1985
Active site dynamics of ribonucleaseA T Brünger, C L Brooks, M KarplusProteins|October 21, 1998
Improving the accuracy of protein pKa calculations: conformational averaging versus the average structureH W van Vlijmen, M Schaefer, M KarplusBiochemistry|March 16, 1982
Fluctuations and averaging of proton chemical shifts in the bovine pancreatic trypsin inhibitorJ C Hoch, C M Dobson, M KarplusProtein Science : a Publication of the Protein Society|April 16, 1998
Locally accessible conformations of proteins: multiple molecular dynamics simulations of crambinL S Caves, J D Evanseck, M KarplusPageof 29