An adaptive weighted ensemble procedure for efficient computation of free energies and first passage rates

Journal of Chemical Physics

Volumn 137, Issue 10, 2012, Pages

  Bhatt, Divesh ^a   Bahar, Ivet ^a  

^a UNIVERSITY OF PITTSBURGH SCHOOL OF MEDICINE   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ADAPTIVE PARTITIONING; CALCIUM-BINDING DOMAIN; COARSE GRAINED MODELS; CONFIGURATION SPACE; EFFICIENT COMPUTATION; FIRST PASSAGE TIME; FIRST-PASSAGE; LOW TEMPERATURES; NON-TRIVIAL; TWO-STATE; TWO-STATE SYSTEMS; FORWARD-AND-BACKWARD;

PHYSICAL CHEMISTRY; PHYSICS;

CALMODULIN;

CALCIUM; CALMODULIN;

ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY; METABOLISM; MOLECULAR DYNAMICS; TEMPERATURE; THERMODYNAMICS;

CALCIUM; CALMODULIN; MODELS, MOLECULAR; MOLECULAR DYNAMICS SIMULATION; TEMPERATURE; THERMODYNAMICS;

EID: 84866422720     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.4748278     Document Type: Article

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