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.
LanguageEnglish
Pages-
Number of pages1
JournalAbstracts of papers - American Chemical Society
Volume241
Publication statusPublished - 27 Mar 2011

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Hydration
Free energy
Molecules

Keywords

  • hydration free energies
  • reference interaction site model

Cite this

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title = "Accurate calculation of the hydration free energies of biologically active molecules using the reference interaction site model",
abstract = "Describes the accurate calculation of the hydration free energies of biologically active molecules using the reference interaction site model.",
keywords = "hydration free energies , reference interaction site model",
author = "David Palmer and Ratkova, {Ekaterina L.} and Frolov, {Andrey I.} and Sergiievskyi, {Volodymyr P.} and Fedorov, {Maxim V.}",
year = "2011",
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day = "27",
language = "English",
volume = "241",
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journal = "Abstracts of papers - American Chemical Society",
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Accurate calculation of the hydration free energies of biologically active molecules using the reference interaction site model. / Palmer, David; Ratkova, Ekaterina L.; Frolov, Andrey I.; Sergiievskyi, Volodymyr P.; Fedorov, Maxim V.

In: Abstracts of papers - American Chemical Society, Vol. 241, 27.03.2011, p. -.

Research output: Contribution to journalSpecial issue

TY - JOUR

T1 - Accurate calculation of the hydration free energies of biologically active molecules using the reference interaction site model

AU - Palmer, David

AU - Ratkova, Ekaterina L.

AU - Frolov, Andrey I.

AU - Sergiievskyi, Volodymyr P.

AU - Fedorov, Maxim V.

PY - 2011/3/27

Y1 - 2011/3/27

N2 - Describes the accurate calculation of the hydration free energies of biologically active molecules using the reference interaction site model.

AB - Describes the accurate calculation of the hydration free energies of biologically active molecules using the reference interaction site model.

KW - hydration free energies

KW - reference interaction site model

UR - http://pubs.acs.org/

M3 - Special issue

VL - 241

SP - -

JO - Abstracts of papers - American Chemical Society

T2 - Abstracts of papers - American Chemical Society

JF - Abstracts of papers - American Chemical Society

SN - 0065-7727

ER -