Peter A. Kollman

Name: dblp XML data dump
Creator: Schloss Dagstuhl - Leibniz Center for Informatics
Published: 1993
License: https://creativecommons.org/publicdomain/zero/1.0/
Keywords: dblp, XML, computer science, scholarly publications, metadata

◀ ▶ joint publications with Piotr Cieplak

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Publications

2003
[j28]
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Yong Duan, Chun Wu, Shibasish Chowdhury, Mathew C. Lee, Guoming Xiong, Wei Zhang, Rong Yang, Piotr Cieplak, Ray Luo, Tai-Sung 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. J. Comput. Chem. 24(16): 1999-2012 (2003)
2001
[j23]
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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/water partition coefficients of the nucleic acid bases. J. Comput. Chem. 22(10): 1048-1057 (2001)
2000
[j20]
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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? J. Comput. Chem. 21(12): 1049-1074 (2000)
1995
[j13]
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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. J. Comput. Chem. 16(2): 243-262 (1995)
[j10]
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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. J. Comput. Chem. 16(11): 1357-1376 (1995)
1993
[j6]
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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. J. Comput. Aided Mol. Des. 7(3): 291-304 (1993)

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