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Biochemistry|May 11, 1982
Protein dynamics in solution and in a crystalline environment: a molecular dynamics studyW F van Gunsteren, M KarplusJournal of Computer-Aided Molecular Design|May 6, 2004
Protein-ligand binding free energy estimation using molecular mechanics and continuum electrostatics. Application to HIV-1 protease inhibitorsV Zoete, O Michielin, M KarplusJournal of Molecular Biology|January 26, 1999
Native proteins are surface-molten solids: application of the Lindemann criterion for the solid versus liquid stateY Zhou, D Vitkup, M KarplusDrug Safety|January 8, 1999
Nonsteroidal anti-inflammatory drugs and cognitive function: do they have a beneficial or deleterious effect?T M Karplus, K G SaagJournal of Molecular Biology|February 4, 1994
Kinetics of protein folding. A lattice model study of the requirements for folding to the native stateA Sali, E Shakhnovich, M KarplusProteins|September 1, 1994
Free energy simulations: the meaning of the individual contributions from a component analysisS Boresch, G Archontis, M KarplusHypertension (Dallas, Tex. : 1979)|January 1, 1985
Construction of a model for the three-dimensional structure of human renal reninW Carlson, M Karplus, E HaberJournal of Molecular Biology|May 20, 1990
Temperature dependence of the structure and dynamics of myoglobin. A simulation approachK Kuczera, J Kuriyan, M KarplusJournal of Molecular Biology|March 10, 2001
Binding free energies and free energy components from molecular dynamics and Poisson-Boltzmann calculations. Application to amino acid recognition by aspartyl-tRNA synthetaseG Archontis, T Simonson, M KarplusJournal of the American Chemical Society|November 22, 2001
Solvent effects on the reaction coordinate of the hydrolysis of phosphates and sulfates: application of Hammond and anti-Hammond postulates to understand hydrolysis in solutionX Lopez, A Dejaegere, M KarplusPageof 139