Revisiting the finite temperature string method for the calculation of reaction tubes and free energies

Journal of Chemical Physics

Volumn 130, Issue 19, 2009, Pages

  Vanden Eijnden, Eric ^a   Venturoli, Maddalena ^a  

^a NEW YORK UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ALANINE DIPEPTIDE; BOLTZMANN; CARTESIAN SPACE; COLLECTIVE VARIABLES; CONFORMATIONAL TRANSITIONS; CONSTRAINED SAMPLING; DISCRETIZATION; ELASTIC NETWORK MODELS; ENTROPIC EFFECTS; FINITE TEMPERATURE STRING METHODS; FINITE TEMPERATURES; FREE ENERGY LANDSCAPE; GLOBAL FEATURE; MINIMUM ENERGY PATHS; MINIMUM FREE ENERGIES; PRINCIPAL CURVE; REACTION CHANNELS; REACTION TUBES; REGULATORY PROTEIN; VORONOI TESSELLATIONS;

FREE ENERGY; PROBABILITY DISTRIBUTIONS; SPACECRAFT INSTRUMENTS;

GRAPH THEORY;

EID: 66049142191     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3130083     Document Type: Article

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