Coupling of replica exchange simulations to a non-boltzmann structure reservoir

Journal of Physical Chemistry B

Volumn 111, Issue 10, 2007, Pages 2415-2418

  Roitberg, Adrian E ^a   Okur, Asim ^b   Simmerling, Carlos ^b  

^a Quantum Theory Project Department of Chemistry University of Florida ^*  (United States)

^b STONY BROOK UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

COMPUTATIONAL METHODS; COMPUTER SIMULATION; CONVERGENCE OF NUMERICAL METHODS; HIGH TEMPERATURE EFFECTS; PROBABILITY; SAMPLING; STATISTICAL MECHANICS;

BOLTZMANN-POPULATED RESERVOIR; BOLTZMANN-WEIGHTED PROBABILITIES; EXCHANGE FUNCTIONS; KINETIC TRAPS;

MOLECULAR DYNAMICS;

EID: 34047256709     PISSN: 15206106     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp068335b     Document Type: Article

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