Blue Moon sampling, vectorial reaction coordinates, and unbiased constrained dynamics

ChemPhysChem

Volumn 6, Issue 9, 2005, Pages 1809-1814

  Ciccotti, Giovanni ^b   Kapral, Raymond ^c   Vanden Eijnden, Eric ^a  

^a NEW YORK UNIVERSITY   (United States)

^b UNIVERSITÀ DI ROMA LA SAPIENZA   (Italy)

^c UNIVERSITY OF TORONTO   (Canada)

Author keywords

Blue Moon sampling; Constrained stochastics dynamics; Free energy; Mean force; Reaction coordinates

Indexed keywords

FREE ENERGY; MOLECULAR DYNAMICS; MOON; STOCHASTIC SYSTEMS;

BLUE MOON; CONDITIONAL EXPECTATION; CONSTRAINED DYNAMICS; CONSTRAINED MOLECULAR DYNAMICS; MEAN FORCES; REACTION COORDINATES; STOCHASTIC DYNAMICS; STOCHASTICS;

REACTION KINETICS;

EID: 24944568819     PISSN: 14394235     EISSN: None     Source Type: Journal    
DOI: 10.1002/cphc.200400669     Document Type: Article

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