MDMS: Molecular dynamics meta-simulator for evaluating exchange type sampling methods

Chemical Physics Letters

Volumn 545, Issue , 2012, Pages 118-124

  Smith, Daniel B ^a,b   Okur, Asim ^b   Brooks, Bernard R ^b  

^a UNIVERSITY OF PITTSBURGH   (United States)

^b NATIONAL HEART LUNG AND BLOOD INSTITUTE   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CONFORMATIONAL SPACE; EXPLICIT DYNAMICS; FREE ENERGY LANDSCAPE; METHOD DEVELOPMENT; RAPID TESTING; REPLICA EXCHANGE; REPLICA EXCHANGE METHOD; REPLICA EXCHANGE SIMULATION; SAMPLING METHOD; TRANSITION STATE THEORIES;

CHEMISTRY; PHYSICAL CHEMISTRY;

MOLECULAR DYNAMICS;

EID: 84865563957     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cplett.2012.07.015     Document Type: Article

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