Estimating equilibrium ensemble averages using multiple time slices from driven nonequilibrium processes: Theory and application to free energies, moments, and thermodynamic length in single-molecule pulling experiments

Journal of Chemical Physics

Volumn 134, Issue 2, 2011, Pages

  Minh, David D L ^a   Chodera, John D ^b  

^a ARGONNE NATIONAL LABORATORY   (United States)

^b UNIVERSITY OF CALIFORNIA   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ENSEMBLE AVERAGES; HIGHER ORDER; LARGE DATASETS; METRIC TENSOR; NON-EQUILIBRIUM PROCESS; OPTIMAL ESTIMATOR; POLYMER EXTENSION; POTENTIAL OF MEAN FORCE; SINGLE-MOLECULE; STATISTICAL ESTIMATORS; TIME SLICE;

COMPUTER SIMULATION; EXPERIMENTS; FREE ENERGY; MOLECULES; STATISTICAL MECHANICS; THERMODYNAMICS;

ESTIMATION;

POLYMER;

ARTICLE; CHEMISTRY; MOLECULAR DYNAMICS; THERMODYNAMICS; TIME;

MOLECULAR DYNAMICS SIMULATION; POLYMERS; THERMODYNAMICS; TIME FACTORS;

EID: 78751518467     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3516517     Document Type: Article

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