Influence of temperature, friction, and random forces on folding of the B-domain of staphylococcal protein A: All-atom molecular dynamics in implicit solvent

Journal of Computational Chemistry

Volumn 28, Issue 6, 2007, Pages 1068-1082

  Jagielska, Anna ^a,b   Scheraga, Harold A ^a  

^a Department of Molecular Biology and Genetics   (United States)

^b GEORGIA INSTITUTE OF TECHNOLOGY   (United States)

Author keywords

Berendsen thermostat; Langevin dynamics; Molecular dynamics; Protein A; Protein folding

Indexed keywords

BERENDSEN THERMOSTAT; LANGEVIN DYNAMICS; PROTEIN A; TERTIARY STRUCTURES;

COMPUTER SIMULATION; FRICTION; MOLECULAR DYNAMICS; MOLECULAR STRUCTURE; THERMOSTATS;

PROTEIN FOLDING;

SOLVENT; STAPHYLOCOCCUS PROTEIN A;

ALGORITHM; ARTICLE; CHEMICAL MODEL; CHEMISTRY; COMPUTER SIMULATION; FRICTION; KINETICS; MECHANICS; PROTEIN FOLDING; PROTEIN SECONDARY STRUCTURE; TEMPERATURE;

ALGORITHMS; COMPUTER SIMULATION; FRICTION; KINETICS; MECHANICS; MODELS, CHEMICAL; PROTEIN FOLDING; PROTEIN STRUCTURE, SECONDARY; SOLVENTS; STAPHYLOCOCCAL PROTEIN A; TEMPERATURE;

EID: 33947723327     PISSN: 01928651     EISSN: 1096987X     Source Type: Journal    
DOI: 10.1002/jcc.20631     Document Type: Article

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