Binding free energy calculations for lead optimization: Assessment of their accuracy in an industrial drug design context

Journal of Chemical Theory and Computation

Volumn 10, Issue 8, 2014, Pages 3331-3344

  Homeyer, Nadine ^a   Stoll, Friederike ^b   Hillisch, Alexander ^b   Gohlke, Holger ^a  

^a HEINRICH HEINE UNIVERSITY   (Germany)

^b BAYER PHARMA AG   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 84906222221     PISSN: 15499618     EISSN: 15499626     Source Type: Journal    
DOI: 10.1021/ct5000296     Document Type: Article

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