Describing protein folding kinetics by molecular dynamics simulations. 2. Example applications to alanine dipeptide and a β-hairpin peptide

Journal of Physical Chemistry B

Volumn 108, Issue 21, 2004, Pages 6582-6594

  Swope, William C ^a   Pitera, Jed W ^a   Suits, Frank ^b   Pitman, Mike ^b   Eleftheriou, Maria ^b   Fitch, Blake G ^b   Germain, Robert S ^b   Rayshubski, Aleksandr ^b   Ward, T J C ^b   Zhestkov, Yuriy ^b   Zhou, Ruhong ^b  

^a IBM ALMADEN RESEARCH CENTER   (United States)

^b IBM T J WATSON RESEARCH CENTER   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

FUNCTIONS; HYDROGEN BONDS; MARKOV PROCESSES; MOLECULAR DYNAMICS; MONTE CARLO METHODS; PARAMETER ESTIMATION; REACTION KINETICS; SAMPLING;

BRIDGE FORMATION; COMPUTING PLATFORM; PROTEIN FOLDING; STATE-TO-STATE TRANSITIONS;

PROTEINS;

EID: 2942560604     PISSN: 15206106     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp037422q     Document Type: Article

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