Tork: Conformational Analysis Method for Molecules and Complexes

Journal of Computational Chemistry

Volumn 24, Issue 16, 2003, Pages 1987-1998

  Chang, Chia En ^a,b   Gilson, Michael K ^a  

^a UNIVERSITY OF MARYLAND BIOTECHNOLOGY INSTITUTE   (United States)

^b University of Maryland   (United States)

Author keywords

Cartesian; Conformational search; Host guest; Internal coordinates; Normal mode

Indexed keywords

ALGORITHMS; CHEMICAL BONDS; COMPLEXATION; COMPUTATIONAL METHODS; DEGREES OF FREEDOM (MECHANICS); EIGENVALUES AND EIGENFUNCTIONS; MONTE CARLO METHODS; POTENTIAL ENERGY; VECTORS;

BIMOLECULAR COMPLEXES; CONFORMATIONAL ANALYSIS METHODS; MOLECULAR MOTIONS;

MOLECULAR DYNAMICS;

CYCLOALKANE DERIVATIVE; ETHER DERIVATIVE; MENTHOL; OCTANE; ORGANIC COMPOUND; PIPERIDINE DERIVATIVE;

ALGORITHM; ARTICLE; CHEMICAL MODEL; CHEMICAL STRUCTURE; CHEMISTRY; COMPARATIVE STUDY; COMPUTER SIMULATION; CONFORMATION; MATHEMATICAL COMPUTING; PHYSICAL CHEMISTRY; TECHNIQUE; THERMODYNAMICS;

ALGORITHMS; CHEMISTRY, PHYSICAL; COMPUTER SIMULATION; CYCLOPARAFFINS; ETHERS, CYCLIC; MATHEMATICAL COMPUTING; MENTHOL; METHODS; MODELS, CHEMICAL; MODELS, MOLECULAR; MOLECULAR CONFORMATION; OCTANES; ORGANIC CHEMICALS; PIPERIDINES; THERMODYNAMICS;

EID: 0242411477     PISSN: 01928651     EISSN: None     Source Type: Journal    
DOI: 10.1002/jcc.10325     Document Type: Article

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