Molecular dynamics simulation accurately predicts the experimentally- observed distributions of the (C, N, O) protein atoms around water molecules and sodium ions

Proteins: Structure, Function and Genetics

Volumn 39, Issue 3, 2000, Pages 212-215

  Kombo, David C ^a   Young, Matthew A ^a,b   Beveridge, David L ^a  

^a WESLEYAN UNIVERSITY   (United States)

^b ROCKEFELLER UNIVERSITY   (United States)

Author keywords

Computer; Ions; Molecular dynamics; Monte Carlo; Simulation; Water; X ray crystallography

Indexed keywords

ARTICLE; CRYSTAL STRUCTURE; MOLECULAR DYNAMICS; PREDICTION; PRIORITY JOURNAL; PROTEIN LOCALIZATION; PROTEIN STRUCTURE; SIMULATION; STRUCTURE ANALYSIS; SYSTEM ANALYSIS; X RAY CRYSTALLOGRAPHY;

CARBON; COMPUTER SIMULATION; CRYSTALLOGRAPHY, X-RAY; DNA-BINDING PROTEINS; MACROMOLECULAR SUBSTANCES; MODELS, MOLECULAR; MONTE CARLO METHOD; NITROGEN; OXYGEN; PROTEIN STRUCTURE, TERTIARY; REPRESSOR PROTEINS; STRUCTURE-ACTIVITY RELATIONSHIP; THERMODYNAMICS; VIRAL PROTEINS; WATER;

EID: 0034656948     PISSN: 08873585     EISSN: None     Source Type: Journal    
DOI: 10.1002/(SICI)1097-0134(20000515)39:3<212::AID-PROT30>3.0.CO;2-C     Document Type: Article

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