Using path sampling to build better Markovian state models: Predicting the folding rate and mechanism of a tryptophan zipper beta hairpin

Journal of Chemical Physics

Volumn 121, Issue 1, 2004, Pages 415-425

  Singhal, Nina ^a   Snow, Christopher D ^b   Pande, Vijay S ^b  

^a Stanford University   (United States)

^b STANFORD UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

KINETICS SIMULATIONS; MEAN FIRST PASSAGE TIME (MFPT); RANDOM SAMPLING; SAMPLING ANALYSIS;

ALGORITHMS; COMPUTER SIMULATION; DATA ACQUISITION; GRAPH THEORY; HYDROGEN BONDS; KINETIC ENERGY; LOW TEMPERATURE EFFECTS; MARKOV PROCESSES; MATHEMATICAL MODELS; MOLECULAR DYNAMICS; MONTE CARLO METHODS; PROBABILITY;

PROTEINS;

TRYPTOPHAN;

ARTICLE; BIOLOGY; CHEMISTRY; KINETICS; PROBABILITY; PROTEIN FOLDING; PROTEIN SECONDARY STRUCTURE; STATISTICAL MODEL; THERMODYNAMICS;

COMPUTATIONAL BIOLOGY; KINETICS; MARKOV CHAINS; MODELS, STATISTICAL; PROTEIN FOLDING; PROTEIN STRUCTURE, SECONDARY; THERMODYNAMICS; TRYPTOPHAN;

EID: 3142707288     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1738647     Document Type: Article

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