Estimating first-passage time distributions from weighted ensemble simulations and non-Markovian analyses

Protein Science

Volumn 25, Issue 1, 2016, Pages 67-78

  Suárez, Ernesto ^a   Pratt, Adam J ^b   Chong, Lillian T ^b   Zuckerman, Daniel M ^a  

^a UNIVERSITY OF PITTSBURGH SCHOOL OF MEDICINE   (United States)

^b UNIVERSITY OF PITTSBURGH   (United States)

Author keywords

first passage time; non Markovian; rare event; weighted ensemble

Indexed keywords

ALANINE DERIVATIVE; METHANE; SODIUM CHLORIDE; ALANINE; PEPTIDE;

ACCURACY; ARTICLE; CALCULATION; CONFIDENCE INTERVAL; CONTROLLED STUDY; DENSITY; DISSOCIATION; FIRST PASSAGE TIME; FORCE; HISTOGRAM; MOLECULAR DYNAMICS; MOLECULAR MODEL; MONTE CARLO METHOD; NON MARKOVIAN ANALYSIS; PRIORITY JOURNAL; PROBABILITY; STANDARD; STATISTICS; WEIGHTED ENSEMBLE SIMULATION; ALGORITHM; CHEMISTRY; MARKOV CHAIN; TIME FACTOR;

ALANINE; ALGORITHMS; METHANE; MOLECULAR DYNAMICS SIMULATION; PEPTIDES; SODIUM CHLORIDE; STOCHASTIC PROCESSES; TIME FACTORS;

EID: 84959230759     PISSN: 09618368     EISSN: 1469896X     Source Type: Journal    
DOI: 10.1002/pro.2738     Document Type: Article

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