Using PC clusters to evaluate the transferability of molecular mechanics force fields for proteins

Journal of Computational Chemistry

Volumn 24, Issue 1, 2003, Pages 21-31

  Okur, Asim ^a   Strockbine, Bentley ^a   Hornak, Viktor ^a   Simmerling, Carlos ^a  

^a STONY BROOK UNIVERSITY   (United States)

Author keywords

Decoys; Force fields; Molecular dynamics; Peptides; Protein folding

Indexed keywords

AMINO ACIDS; CALCULATIONS; COMPUTER SIMULATION; COMPUTER SOFTWARE; CONFORMATIONS; MOLECULAR DYNAMICS; STABILITY; TRANSPORT PROPERTIES;

MOLECULAR DYNAMICS SIMULATIONS; MOLECULAR MECHANICS FORCE FIELDS; PEPTIDES; SOFTWARE PACKAGE AMBER; TRANSFERABILITY;

PROTEINS;

PROTEIN;

ARTICLE; CHEMICAL MODEL; CHEMISTRY; COMPUTER SIMULATION; NUCLEAR MAGNETIC RESONANCE; PROTEIN CONFORMATION; THERMODYNAMICS;

COMPUTER SIMULATION; MODELS, CHEMICAL; NUCLEAR MAGNETIC RESONANCE, BIOMOLECULAR; PROTEIN CONFORMATION; PROTEINS; THERMODYNAMICS;

EID: 0037439922     PISSN: 01928651     EISSN: None     Source Type: Journal    
DOI: 10.1002/jcc.10184     Document Type: Article

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