Exploration of effective potential landscapes using coarse reverse integration

Journal of Chemical Physics

Volumn 131, Issue 13, 2009, Pages

  Frewen, Thomas A ^a   Hummer, Gerhard ^b   Kevrekidis, Ioannis G ^a  

^a Princeton University   (United States)

^b NATIONAL INSTITUTE OF DIABETES AND DIGESTIVE AND KIDNEY DISEASES   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ARC LENGTH; CLOSED FORM; DETERMINISTIC PROBLEMS; DIFFUSION COEFFICIENTS; EFFECTIVE POTENTIALS; ENERGY LANDSCAPE; EQUATION-FREE; ESTIMATION TECHNIQUES; INTEGRATION APPROACH; SADDLE POINT; SHORT BURSTS; STOCHASTIC SIMULATORS; TRANSITION PATHS;

INTEGRATION; MOLECULAR DYNAMICS; WELLS;

SIMULATORS;

ALANYLALANINE; DIPEPTIDE; WATER;

ALGORITHM; ARTICLE; CHEMISTRY; CONFORMATION; MOLECULAR DYNAMICS; THERMODYNAMICS;

ALGORITHMS; DIPEPTIDES; MOLECULAR CONFORMATION; MOLECULAR DYNAMICS SIMULATION; THERMODYNAMICS; WATER;

EID: 70449096437     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3207882     Document Type: Article

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