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Peter A. Kollman: [Publications] [Author Rank by year] [Co-authors] [Prefers] [Cites] [Cited by]

Publications of Author

  1. Yong Duan, Peter A. Kollman
    Computational protein folding: From lattice to all-atom. [Citation Graph (0, 0)][DBLP]
    IBM Systems Journal, 2001, v:40, n:2, pp:297-309 [Journal]
  2. 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]
  3. Svein G. Dahl, Peter A. Kollman, Shashidhar N. Rao, U. Chandra Singh
    Structural changes by sulfoxidation of phenothiazine drugs. [Citation Graph (0, 0)][DBLP]
    Journal of Computer-Aided Molecular Design, 1992, v:6, n:3, pp:207-222 [Journal]
  4. Peter D. J. Grootenhuis, Diana C. Roe, Peter A. Kollman, Irwin D. Kuntz
    Finding potential DNA-binding compounds by using molecular shape. [Citation Graph (0, 0)][DBLP]
    Journal of Computer-Aided Molecular Design, 1994, v:8, n:6, pp:731-750 [Journal]
  5. 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]
  6. 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]
  7. Lu Wang, Yong Duan, Pieter F. W. Stouten, George V. De Lucca, Ronald M. Klabe, Peter A. Kollman
    Does a diol cyclic urea inhibitor of HIV-1 protease bind tighter than its corresponding alcohol form? A study by free energy perturbation and continuum electrostatics calculations. [Citation Graph (0, 0)][DBLP]
    Journal of Computer-Aided Molecular Design, 2001, v:15, n:2, pp:145-156 [Journal]
  8. Giuliano Alagona, Caterina Ghio, Peter A. Kollman
    The intramolecular mechanism for the second proton transfer in triosephosphate isomerase (TIM): A QM/FE approach. [Citation Graph (0, 0)][DBLP]
    Journal of Computational Chemistry, 2003, v:24, n:1, pp:46-56 [Journal]
  9. 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]
  10. Lillian T. Chong, Pradipta Bandyopadhyay, Thomas S. Scanlan, Irwin D. Kuntz, Peter A. Kollman
    Direct hydroxide attack is a plausible mechanism for amidase antibody 43C9. [Citation Graph (0, 0)][DBLP]
    Journal of Computational Chemistry, 2003, v:24, n:12, pp:1371-1377 [Journal]
  11. Piotr Cieplak, Wendy D. Cornell, Christopher I. Bayly, Peter A. Kollman
    Application of the Multimolecule and Multiconformational RESP Methodology to Biopolymers: Charge Derication for DNA, RNA, and Proteins. [Citation Graph (0, 0)][DBLP]
    Journal of Computational Chemistry, 1995, v:16, n:11, pp:1357-1376 [Journal]
  12. 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]
  13. Wendy D. Cornell, Maria P. Ha, Yax Sun, Peter A. Kollman
    Application of a simple diagonal force field to the simulation of cyclopentane conformational dynamics. [Citation Graph (0, 0)][DBLP]
    Journal of Computational Chemistry, 1996, v:17, n:13, pp:1541-1548 [Journal]
  14. Stephen E. DeBolt, David A. Pearlman, Peter A. Kollman
    Free Energy Peturbation Calculations on Parallel Computers: Demonstrations of Scalable Linear Speedup. [Citation Graph (0, 0)][DBLP]
    Journal of Computational Chemistry, 1994, v:15, n:3, pp:351-374 [Journal]
  15. 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]
  16. Yong Duan, Chun Wu, Shibasish Chowdhury, Mathew C. Lee, Guoming Xiong, Wei Zhang, Rong Yang, Piotr Cieplak, Ray Luo, Taisung Lee, James W. Caldwell, Junmei Wang, Peter A. Kollman
    A point-charge force field for molecular mechanics simulations of proteins based on condensed-phase quantum mechanical calculations. [Citation Graph (0, 0)][DBLP]
    Journal of Computational Chemistry, 2003, v:24, n:16, pp:1999-2012 [Journal]
  17. Xavier Grabuleda, Carlos Jaime, Peter A. Kollman
    Molecular dynamics simulation studies of liquid acetonitrile: New six-site model. [Citation Graph (0, 0)][DBLP]
    Journal of Computational Chemistry, 2000, v:21, n:10, pp:901-908 [Journal]
  18. Allison E. Howard, Piotr Cieplak, Peter A. Kollman
    A Molecular Mechanical Model That Reproduces the Relative Energies for Chair and Twist-Boat Conformations of 1, 3-Dioxanes. [Citation Graph (0, 0)][DBLP]
    Journal of Computational Chemistry, 1995, v:16, n:2, pp:243-262 [Journal]
  19. Shuanghong Huo, Irina Massova, Peter A. Kollman
    Computational alanine scanning of the 1: 1 human growth hormone-receptor complex. [Citation Graph (0, 0)][DBLP]
    Journal of Computational Chemistry, 2002, v:23, n:1, pp:15-27 [Journal]
  20. Shankar Kumar, John M. Rosenberg, Djamal Bouzida, Robert H. Swendsen, Peter A. Kollman
    Multidimensional Free-Energy Calculations Using the Weighted Histogram Analysis Method. [Citation Graph (0, 0)][DBLP]
    Journal of Computational Chemistry, 1995, v:16, n:11, pp:1339-1350 [Journal]
  21. 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]
  22. 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]
  23. 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]
  24. 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]
  25. 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]
  26. 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]
  27. Junmei Wang, Romain M. Wolf, James W. Caldwell, Peter A. Kollman, David A. Case
    Development and testing of a general amber force field. [Citation Graph (0, 0)][DBLP]
    Journal of Computational Chemistry, 2004, v:25, n:9, pp:1157-1174 [Journal]
  28. Junmei Wang, Romain M. Wolf, James W. Caldwell, Peter A. Kollman, David A. Case
    Junmei Wang, Romain M. Wolf, James W. Caldwell, Peter A. Kollman, and David A. Case, "Development and testing of a general amber force field" Journal of Computational Chemistry(2004) 25(9) 1157-1174. [Citation Graph (0, 0)][DBLP]
    Journal of Computational Chemistry, 2005, v:26, n:1, pp:114-0 [Journal]

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