Alchemical free energy differences in flexible molecules from thermodynamic integration or free energy perturbation combined with driven adiabatic dynamics

Journal of Chemical Theory and Computation

Volumn 8, Issue 10, 2012, Pages 3504-3512

  Cuendet, Michel A ^a   Tuckerman, Mark E ^a  

^a NEW YORK UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 84867366593     PISSN: 15499618     EISSN: 15499626     Source Type: Journal    
DOI: 10.1021/ct300090z     Document Type: Article

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