Distinguishing native conformations of proteins from decoys with an effective free energy estimator based on the OPLS all-atom force field and the surface generalized born solvent model

Proteins: Structure, Function and Genetics

Volumn 48, Issue 2, 2002, Pages 404-422

  Felts, Anthony K ^a   Gallicchio, Emilio ^a   Wallqvist, Anders ^a   Levy, Ronald M ^a  

^a RUTGERS UNIVERSITY   (United States)

Author keywords

Fold recognition; Protein decoys; Protein solvation

Indexed keywords

ARTICLE; ELECTRICITY; ENERGY; MATHEMATICAL MODEL; MOLECULAR RECOGNITION; PRIORITY JOURNAL; PROTEIN CONFORMATION; PROTEIN FOLDING; SEQUENCE HOMOLOGY; SOLVATION;

ANIMALS; DATABASES, PROTEIN; ELECTROSTATICS; MODELS, MOLECULAR; MODELS, THEORETICAL; MOLECULAR STRUCTURE; PROTEIN CONFORMATION; PROTEIN FOLDING; PROTEINS; SEQUENCE ANALYSIS, PROTEIN; SOLVENTS;

EID: 0036681394     PISSN: 08873585     EISSN: None     Source Type: Journal    
DOI: 10.1002/prot.10171     Document Type: Article

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