Molecular mechanics force-field development for amino acid zwitterions

Journal of Computational Chemistry

Volumn 24, Issue 1, 2003, Pages 111-128

  Kirschner, K N ^a   Lewin, A H ^b   Bowen, J P ^a  

^a UNIVERSITY OF GEORGIA   (United States)

^b RTI INTERNATIONAL   (United States)

Author keywords

Amino acid zwitterion; Carboxylate; Combinatorial parameterization; Drug development; Molecular mechanics

Indexed keywords

ASSOCIATION REACTIONS; CONFORMATIONS; HYDROGEN BONDS; IONS; MATHEMATICAL MODELS; MOLECULAR DYNAMICS; NEUTRON DIFFRACTION; NUMERICAL ANALYSIS;

AMINO ACID ZWITTERIONS; COMBINATORIAL PARAMETRIZATION; MOLECULAR MECHANICS;

AMINO ACIDS;

AMINO ACID; GLYCINE;

ALGORITHM; ARTICLE; BIOLOGY; CHEMICAL STRUCTURE; CHEMISTRY; HYDROGEN BOND; STEREOISOMERISM; X RAY DIFFRACTION;

ALGORITHMS; AMINO ACIDS; COMPUTATIONAL BIOLOGY; GLYCINE; HYDROGEN BONDING; MODELS, MOLECULAR; STEREOISOMERISM; X-RAY DIFFRACTION;

EID: 0037439856     PISSN: 01928651     EISSN: None     Source Type: Journal    
DOI: 10.1002/jcc.10174     Document Type: Article

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