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Journal of Molecular Graphics and Modelling

Volumn 25, Issue 2, 2006, Pages 247-260

Automatic atom type and bond type perception in molecular mechanical calculations

(4) Wang, Junmei a Wang, Wei b Kollman, Peter A c Case, David A d

a PEKING UNIVERSITY (China)

b UNIVERSITY OF CALIFORNIA (United States)

c UNIVERSITY OF CALIFORNIA (United States)

d SCRIPPS RESEARCH INSTITUTE (United States)

Author keywords

Antechamber; Atom type perception; Bond type perception; Force field parameters; General AMBER force field (GAFF); Residue topology

Indexed keywords

ANTECHAMBER; ATOM TYPE PERCEPTION; BOND TYPE PERCEPTION; FORCE FIELD PARAMETERS; GENERAL AMBER FORCE FIELD (GAFF); RESIDUE TOPOLOGY;

ALGORITHMS; ATOMIC PHYSICS; FREE ENERGY; MECHANICAL PROPERTIES; MOLECULAR DYNAMICS;

CHEMICAL BONDS;

DNA; PROTEIN; RNA;

ALGORITHM; ARTICLE; ATOM; CHEMICAL BOND; DIPOLE; ELECTRIC POTENTIAL; ENTROPY; MACROMOLECULE; MOLECULAR DYNAMICS; MOLECULAR MECHANICS; PRIORITY JOURNAL;

ALGORITHMS; HYDROGEN BONDING; MODELS, MOLECULAR; MOLECULAR CONFORMATION; MOLECULAR STRUCTURE; ORGANIC CHEMICALS;

EID: 33748538349 PISSN: 10933263 EISSN: None Source Type: Journal
DOI: 10.1016/j.jmgm.2005.12.005 Document Type: Article

Times cited : (4250)

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