xTRAM: Estimating equilibrium expectations from time-correlated simulation data at multiple thermodynamic states

Physical Review X

Volumn 4, Issue 4, 2014, Pages 041018-

  Mey, Antonia S J S ^a   Wu, Hao ^a   Noé, Frank ^a  

^a FREIE UNIVERSITÄT BERLIN   (Germany)

Author keywords

Biological physics; Computational physics; Statistical physics

Indexed keywords

ESTIMATION; FREE ENERGY; GRAPHIC METHODS; RAILROAD ROLLING STOCK; TEMPERING;

BENNETT ACCEPTANCE RATIO; BIOLOGICAL PHYSICS; COMPUTATIONAL PHYSICS; EQUILIBRIUM PROPERTIES; FREE-ENERGY DIFFERENCE; IMPROVED CONVERGENCE; SOLVATED BIOMOLECULES; WEIGHTED HISTOGRAM ANALYSIS METHOD;

STATISTICAL PHYSICS;

EID: 84921349976     PISSN: None     EISSN: 21603308     Source Type: Journal    
DOI: 10.1103/PhysRevX.4.041018     Document Type: Article

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