Derivation of class II force fields. VIII. Derivation of a general quantum mechanical force field for organic compounds-Reference-Cited by-同舟云学术

Derivation of class II force fields. VIII. Derivation of a general quantum mechanical force field for organic compounds

Published:2001-11-30 Issue:15 Volume:22 Page:1782-1800
ISSN:0192-8651
Container-title:Journal of Computational Chemistry
language:en
Short-container-title:J. Comput. Chem.

Author:

Ewig Carl S.,Berry Rajiv,Dinur Uri,Hill Jörg-Rüdiger,Hwang Ming-Jing,Li Haiying,Liang Chris,Maple Jon,Peng Zhengwei,Stockfisch Thomas P.,Thacher Thomas S.,Yan Lisa,Ni Xiangshan,Hagler Arnold T.

Publisher

Wiley

Subject

Computational Mathematics,General Chemistry

Reference21 articles.

1. Derivation of force fields for molecular mechanics and dynamics from ab initio energy surfaces

2. Consistent Force Field for Calculations of Conformations, Vibrational Spectra, and Enthalpies of Cycloalkane andn‐Alkane Molecules

3. Structure and energetics of ligand binding to proteins:Escherichia coli dihydrofolate reductase-trimethoprim, a drug-receptor system

4. A new force field for molecular mechanical simulation of nucleic acids and proteins

5. CHARMM: A program for macromolecular energy, minimization, and dynamics calculations

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