Evaluation of a fast implicit solvent model for molecular dynamics simulations

Proteins: Structure, Function and Genetics

Volumn 46, Issue 1, 2002, Pages 24-33

  Ferrara, Philippe ^a   Apostolakis, Joannis ^a,b   Caflisch, Amedeo ^a  

^a UNIVERSITY OF ZURICH   (Switzerland)

^b FRAUNHOFER INSTITUTE FOR APPLIED INFORMATION TECHNOLOGY FIT   (Germany)

Author keywords

CHARMM force field; Implicit solvent; Protein folding; Solvent accessible surface area

Indexed keywords

PEPTIDE; SOLVENT; WATER;

ACCURACY; AQUEOUS SOLUTION; ARTICLE; CONFORMATIONAL TRANSITION; DIELECTRIC CONSTANT; ELECTROCHEMISTRY; EVALUATION; EXPERIMENTAL MODEL; HYDROGEN BOND; HYDROPHOBICITY; MOLECULAR DYNAMICS; PRIORITY JOURNAL; PROTEIN FOLDING; SIMULATION; SOLVATION; STEREOCHEMISTRY; THERMODYNAMICS;

COMPUTER SIMULATION; HYDROGEN BONDING; MODELS, CHEMICAL; PROTEIN CONFORMATION; PROTEIN STRUCTURE, SECONDARY; PROTEINS; SOLVENTS; SURFACE PROPERTIES;

SASA;

EID: 0036138028     PISSN: 08873585     EISSN: None     Source Type: Journal    
DOI: 10.1002/prot.10001     Document Type: Article

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