Molecular dynamics simulations of peptides and proteins with a continuum electrostatic model based on screened Coulomb potentials

Proteins: Structure, Function and Genetics

Volumn 51, Issue 1, 2003, Pages 109-125

  Hassan, Sergio A ^a   Mehler, Ernest L ^a   Zhang, Daqun ^a   Weinstein, Harel ^a  

^a MOUNT SINAI SCHOOL OF MEDICINE   (United States)

Author keywords

MD simulation with an implicit solvent model; Screened Coulomb potentials; Simulation of dynorphin; Simulation of protein G

Indexed keywords

AMINO ACID; DYNORPHIN; GLOBULAR PROTEIN; IMMUNOGLOBULIN; PEPTIDE; PROTEIN; PROTEIN G;

ARTICLE; CRYSTAL STRUCTURE; ELECTRIC POTENTIAL; MOLECULAR DYNAMICS; MONTE CARLO METHOD; NUCLEAR MAGNETIC RESONANCE; PRIORITY JOURNAL; PROTEIN DOMAIN; PROTEIN STRUCTURE; RELIABILITY; SPECTROSCOPY; VALIDATION PROCESS; X RAY ANALYSIS;

AMINO ACID SEQUENCE; BACTERIAL PROTEINS; COMPUTER SIMULATION; DYNORPHINS; ELECTROSTATICS; MODELS, MOLECULAR; MOLECULAR SEQUENCE DATA; PEPTIDES; PROTEINS; REPRODUCIBILITY OF RESULTS; SOLVENTS; WATER;

EID: 0037375367     PISSN: 08873585     EISSN: None     Source Type: Journal    
DOI: 10.1002/prot.10330     Document Type: Article

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