W-REXAMD: A hamiltonian replica exchange approach to improve free energy calculations for systems with kinetically trapped conformations

Journal of Chemical Theory and Computation

Volumn 9, Issue 1, 2013, Pages 18-23

  Arrar, Mehrnoosh ^a   De Oliveira, Cesar Augusto F ^a   Fajer, Mikolai ^a,b   Sinko, William ^a   McCammon, J Andrew ^a  

^a UNIVERSITY OF CALIFORNIA   (United States)

^b UNIVERSITY OF CHICAGO   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 84872168026     PISSN: 15499618     EISSN: 15499626     Source Type: Journal    
DOI: 10.1021/ct300896h     Document Type: Article

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