Adaptive-partitioning QM/MM dynamics simulations: 3. Solvent molecules entering and leaving protein binding sites

Journal of Chemical Theory and Computation

Volumn 10, Issue 11, 2014, Pages 4765-4776

  Pezeshki, Soroosh ^a   Davis, Christal ^a   Heyden, Andreas ^b   Lin, Hai ^a  

^a UNIVERSITY OF COLORADO   (United States)

^b The Department of Mechanical Engineering   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 84909638703     PISSN: 15499618     EISSN: 15499626     Source Type: Journal    
DOI: 10.1021/ct500553x     Document Type: Article

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