Efficient extraction of free energy profiles from nonequilibrium experiments

Journal of Computational Chemistry

Volumn 30, Issue 11, 2009, Pages 1726-1736

  Oberhofer, Harald ^a   Dellago, Christoph ^b  

^a UNIVERSITY OF CAMBRIDGE   (United Kingdom)

^b UNIVERSITY OF VIENNA   (Austria)

Author keywords

Free energy; Molecular dynamics; Non equilibrium process

Indexed keywords

ENERGY PROFILE; HARMONIC TRAP; HELMHOLTZ FREE ENERGY; JARZYNSKI EQUALITY; NON EQUILIBRIUM; NON-EQUILIBRIUM PROCESS; ONE-DIMENSIONAL MODEL; STATISTICAL ERRORS; WEIGHT CALCULATION; WEIGHTED HISTOGRAM;

ERRORS; MOLECULAR DYNAMICS; SYSTEMATIC ERRORS; WEIGHING;

FREE ENERGY;

EID: 67650482788     PISSN: 01928651     EISSN: 1096987X     Source Type: Journal    
DOI: 10.1002/jcc.21290     Document Type: Article

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