Importance of Solvent Accessibility and Contact Surfaces in Modeling Side-Chain Conformations in Proteins

Journal of Computational Chemistry

Volumn 25, Issue 5, 2004, Pages 712-724

  Eyal, Eran ^a   Najmanovich, Rafael ^a,b   Mcconkey, Brendan J ^a,c   Edelman, Marvin ^a   Sobolev, Vladimir ^a  

^a WEIZMANN INSTITUTE OF SCIENCE   (Israel)

^b EUROPEAN BIOINFORMATICS INSTITUTE   (United Kingdom)

^c UNIVERSITY OF WATERLOO   (Canada)

Author keywords

Atomic solvation parameter; Modeling; Rotamer library; Solvent accessible surface; Surface complementarity

Indexed keywords

AMINO ACIDS; COMPUTER SIMULATION; CONFORMATIONS; CONTACTS (FLUID MECHANICS); CRYSTAL ATOMIC STRUCTURE; FREE ENERGY; ITERATIVE METHODS; RANDOM PROCESSES; SOLVENTS;

ATOMIC SOLVENT PARAMETER; ROTAMER LIBRARY; SOLVENT-ACCESSIBLE SURFACES; SURFACE COMPLEMENTARITY;

PROTEINS;

PROTEIN; SOLVENT;

ALGORITHM; ARTICLE; BIOLOGY; CHEMICAL STRUCTURE; CHEMISTRY; COMPARATIVE STUDY; COMPUTER PROGRAM; CONFORMATION; METHODOLOGY; PROTEIN CONFORMATION; THERMODYNAMICS;

ALGORITHMS; COMPUTATIONAL BIOLOGY; MODELS, MOLECULAR; MOLECULAR CONFORMATION; PROTEIN CONFORMATION; PROTEINS; SOFTWARE; SOLVENTS; THERMODYNAMICS;

EID: 1842788912     PISSN: 01928651     EISSN: None     Source Type: Journal    
DOI: 10.1002/jcc.10420     Document Type: Article

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