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Volumn 134, Issue 24, 2011, Pages

Optimal use of data in parallel tempering simulations for the construction of discrete-state Markov models of biomolecular dynamics

(6) Prinz, Jan Hendrik a,b Chodera, John D c Pande, Vijay S d Swope, William C e Smith, Jeremy C f Noé, Frank b

a UNIVERSITY OF HEIDELBERG (Germany)

b FREIE UNIVERSITÄT BERLIN (Germany)

c UNIVERSITY OF CALIFORNIA (United States)

d STANFORD UNIVERSITY (United States)

e IBM ALMADEN RESEARCH CENTER (United States)

f OAK RIDGE NATIONAL LABORATORY (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ALANINE PEPTIDE; BIOMOLECULAR DYNAMICS; BIOMOLECULAR SYSTEM; CONFORMATIONAL DYNAMICS; EFFICIENT SAMPLING; KINETIC MODELS; MARKOV MODEL; MOLECULAR DYNAMICS SIMULATIONS; PARALLEL TEMPERING; SIMPLE MODIFICATIONS; STATISTICAL UNCERTAINTY; TEMPERATURE DEPENDENT; TEMPERATURE-DEPENDENT PROPERTIES; TRANSITION PROBABILITIES;

AMINO ACIDS; KINETIC THEORY; KINETICS; MARKOV PROCESSES; MODELS; MOLECULAR DYNAMICS; OPTIMIZATION; TEMPERING; UNCERTAINTY ANALYSIS;

COMPUTER SIMULATION;

ALANINE; PEPTIDE;

ARTICLE; CHEMISTRY; KINETICS; MOLECULAR DYNAMICS; PROBABILITY; TEMPERATURE;

ALANINE; KINETICS; MARKOV CHAINS; MOLECULAR DYNAMICS SIMULATION; PEPTIDES; TEMPERATURE;

EID: 79960156218 PISSN: 00219606 EISSN: None Source Type: Journal
DOI: 10.1063/1.3592153 Document Type: Article

Times cited : (54)

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