Piotr Cieplak, Peter A. Kollman Peptide mimetics as enzyme inhibitors: Use of free energy perturbation calculations to evaluate isosteric replacement for amide bonds in a potent HIV protease inhibitor. [Citation Graph (0, 0)][DBLP] Journal of Computer-Aided Molecular Design, 1993, v:7, n:3, pp:291-304 [Journal]
Margaret A. McCarrick, Peter A. Kollman Predicting relative binding affinities of non-peptide HIV protease inhibitors with free energy perturbation calculations. [Citation Graph (0, 0)][DBLP] Journal of Computer-Aided Molecular Design, 1999, v:13, n:2, pp:109-121 [Journal]
Randall J. Radmer, Peter A. Kollman The application of three approximate free energy calculations methods to structure based ligand design: Trypsin and its complex with inhibitors. [Citation Graph (0, 0)][DBLP] Journal of Computer-Aided Molecular Design, 1998, v:12, n:3, pp:215-227 [Journal]
Christophe Chipot, Peter A. Kollman, David A. Pearlman Alternative approaches to potential of mean force calculations: Free energy perturbation versus thermodynamic integration. Case study of some representative nonpolar interactions. [Citation Graph (0, 0)][DBLP] Journal of Computational Chemistry, 1996, v:17, n:9, pp:1112-1131 [Journal]
Piotr Cieplak, James W. Caldwell, Peter A. Kollman Molecular mechanical models for organic and biological systems going beyond the atom centered two body additive approximation: aqueous solution free energies of methanol and N-methyl acetamide, nucleic acid base, and amide hydrogen bonding and chloroform/ [Citation Graph (0, 0)][DBLP] Journal of Computational Chemistry, 2001, v:22, n:10, pp:1048-1057 [Journal]
Richard W. Dixon, Peter A. Kollman Advancing beyond the atom-centered model in additive and nonadditive molecular mechanics. [Citation Graph (0, 0)][DBLP] Journal of Computational Chemistry, 1997, v:18, n:13, pp:1632-1646 [Journal]
Irina Massova, Peter A. Kollman pKa, MM, and QM studies of mechanisms of -lactamases and penicillin-binding proteins: Acylation step. [Citation Graph (0, 0)][DBLP] Journal of Computational Chemistry, 2002, v:23, n:16, pp:1559-1576 [Journal]
Randall J. Radmer, Peter A. Kollman Free energy calculation methods: A theoretical and empirical comparison of numerical errors and a new method qualitative estimates of free energy changes. [Citation Graph (0, 0)][DBLP] Journal of Computational Chemistry, 1997, v:18, n:7, pp:902-919 [Journal]
Alain St.-Amant, Wendy D. Cornell, Peter A. Kollman, Thomas A. Halgren Calculation of Molecular Geometries, Relative Conformational Energies, Dipole Moments, and Molecular Electrostatic Potential Fitted Charges of Small Organic Molecules of Biochemical Interest by Density Function Theory. [Citation Graph (0, 0)][DBLP] Journal of Computational Chemistry, 1995, v:16, n:12, pp:1483-1506 [Journal]
Yaxiong Sun, Peter A. Kollman Hydrophobic Solvation of Methane and Nonbond Parameters of the TIP3P Water Model. [Citation Graph (0, 0)][DBLP] Journal of Computational Chemistry, 1995, v:16, n:9, pp:1164-1169 [Journal]
Junmei Wang, Piotr Cieplak, Peter A. Kollman How well does a restrained electrostatic potential (RESP) model perform in calculating conformational energies of organic and biological molecules? [Citation Graph (0, 0)][DBLP] Journal of Computational Chemistry, 2000, v:21, n:12, pp:1049-1074 [Journal]
Junmei Wang, Peter A. Kollman Automatic parameterization of force field by systematic search and genetic algorithms. [Citation Graph (0, 0)][DBLP] Journal of Computational Chemistry, 2001, v:22, n:12, pp:1219-1228 [Journal]