Accurate calculation of the hydration free energies of biologically active molecules using the reference interaction site model

David Palmer, Ekaterina L. Ratkova, Andrey I. Frolov, Volodymyr P. Sergiievskyi, Maxim V. Fedorov

Research output: Contribution to journalSpecial issue

Abstract

Describes the accurate calculation of the hydration free energies of biologically active molecules using the reference interaction site model.
Original languageEnglish
Pages (from-to)-
Number of pages1
JournalAbstracts of papers - American Chemical Society
Volume241
Publication statusPublished - 27 Mar 2011

Keywords

  • hydration free energies
  • reference interaction site model

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