Best practices in free energy calculations for drug design

Methods in Molecular Biology

Volumn 819, Issue , 2012, Pages 425-467

  Shirts, Michael R ^a  

^a University of Virginia   (United States)

Author keywords

Alchemical methods; Bennett acceptance ratio; Binding free energy; Drug design; Free energy calculation; MBAR; Thermodynamic integration

Indexed keywords

EID: 84855920413     PISSN: 10643745     EISSN: None     Source Type: Book Series    
DOI: 10.1007/978-1-61779-465-0_26     Document Type: Article

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