Improved side-chain prediction accuracy using an ab initio potential energy function and a very large rotamer library

Protein Science

Volumn 13, Issue 3, 2004, Pages 735-751

  Peterson, Ronald W ^a   Dutton, P Leslie ^a   Wand, A Joshua ^a  

^a UNIVERSITY OF PENNSYLVANIA   (United States)

Author keywords

OPLS parameters; Potential energy function; Rotamer library; Side chain prediction; Simulated annealing

Indexed keywords

AMINO ACID; PROTEIN;

ACCURACY; ALGORITHM; ARTICLE; ELECTRICITY; ENERGY; HYDROGEN BOND; PREDICTION; PRIORITY JOURNAL; PROTEIN CONFORMATION; PROTEIN STRUCTURE;

ALGORITHMS; AMINO ACIDS; COMPUTATIONAL BIOLOGY; COMPUTER SIMULATION; DATABASES, PROTEIN; ELECTROSTATICS; HYDROGEN BONDING; MODELS, MOLECULAR; PROTEIN CONFORMATION; PROTEINS; REPRODUCIBILITY OF RESULTS; THERMODYNAMICS;

EID: 1342310514     PISSN: 09618368     EISSN: None     Source Type: Journal    
DOI: 10.1110/ps.03250104     Document Type: Article

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