Computing the free energy along a reaction coordinate using rigid body dynamics

Journal of Chemical Theory and Computation

Volumn 10, Issue 10, 2014, Pages 4198-4207

  Tao, Peng ^a   Sodt, Alexander J ^b   Shao, Yihan ^b,c   König, Gerhard ^b   Brooks, Bernard R ^b  

^a SOUTHERN METHODIST UNIVERSITY   (United States)

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

^c Q Chem Inc   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 84907977169     PISSN: 15499618     EISSN: 15499626     Source Type: Journal    
DOI: 10.1021/ct500342h     Document Type: Article

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