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Journal of Molecular Biology|October 31, 2000
Free energy calculations on dimer stability of the HIV protease using molecular dynamics and a continuum solvent modelW Wang, P A KollmanProtein Engineering|February 1, 1991
Relative binding free energy calculations of inhibitors to two mutants (Glu46----Ala/Gln) of ribonuclease T1 using molecular dynamics/free energy perturbation approachesS Hirono, P A KollmanProceedings of the National Academy of Sciences of the United States of America|September 15, 1993
What determines the strength of noncovalent association of ligands to proteins in aqueous solution?S Miyamoto, P A KollmanProtein Engineering|August 1, 1990
Molecular dynamics simulations of active site mutants of triosephosphate isomeraseV Daggett, P A KollmanJournal of Molecular Biology|March 5, 1990
Calculation of the relative binding free energy of 2'GMP and 2'AMP to ribonuclease T1 using molecular dynamics/free energy perturbation approachesS Hirono, P A KollmanJournal of Molecular Recognition : JMR|March 1, 1996
A technique to study molecular recognition in drug design: preliminary application of free energy derivatives to inhibition of a malarial cysteine proteaseP Cieplak, P A KollmanJournal of Computer-Aided Molecular Design|June 1, 1993
Peptide mimetics as enzyme inhibitors: use of free energy perturbation calculations to evaluate isosteric replacement for amide bonds in a potent HIV protease inhibitorP Cieplak, P A KollmanJournal of Medicinal Chemistry|October 6, 2000
Binding of a diverse set of ligands to avidin and streptavidin: an accurate quantitative prediction of their relative affinities by a combination of molecular mechanics and continuum solvent modelsB Kuhn, P A KollmanProtein Science : a Publication of the Protein Society|September 1, 1992
Molecular dynamics studies of a DNA-binding protein: 2. An evaluation of implicit and explicit solvent models for the molecular dynamics simulation of the Escherichia coli trp repressorJ Guenot, P A KollmanPageof 14