Molecular dynamics with the united-residue model of polypeptide chains. II. Langevin and Berendsen-bath dynamics and tests on model a-helical systems

Journal of Physical Chemistry B

Volumn 109, Issue 28, 2005, Pages 13798-13810

  Khalili, Mey ^a   Liwo, Adam ^a,b   Jagielska, Anna ^a   Scheraga, Harold A ^a  

^a Department of Obstetrics Gynecology   (United States)

^b UNIVERSITY OF GDA SK   (Poland)

Author keywords

[No Author keywords available]

Indexed keywords

INTERNAL DEGREES OF FREEDOM; LANGEVIN EQUATION; NUMERICAL INTEGRATION; PROTEIN FOLDING;

COMPUTER SIMULATION; DEGREES OF FREEDOM (MECHANICS); EQUATIONS OF MOTION; INCLUSIONS; POLYPEPTIDES; RANDOM PROCESSES; THERMOSTATS;

MOLECULAR DYNAMICS;

PEPTIDE; SOLVENT;

ALGORITHM; ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY; COMPUTER SIMULATION; CONFORMATION; METHODOLOGY; PHYSICAL CHEMISTRY; PROTEIN CONFORMATION; PROTEIN FOLDING; PROTEIN SECONDARY STRUCTURE; STATISTICAL MODEL; TEMPERATURE; THEORETICAL MODEL; TIME;

ALGORITHMS; CHEMISTRY, PHYSICAL; COMPUTER SIMULATION; MODELS, MOLECULAR; MODELS, STATISTICAL; MODELS, THEORETICAL; MOLECULAR CONFORMATION; PEPTIDES; PROTEIN CONFORMATION; PROTEIN FOLDING; PROTEIN STRUCTURE, SECONDARY; SOLVENTS; TEMPERATURE; TIME FACTORS;

EID: 23144463330     PISSN: 15206106     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp058007w     Document Type: Article

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