Reference interaction site model with structural descriptors correction as an efficient tool for hydration free energy predictions

Ekaterina L. Ratkova, Volodymyr P. Sergiievskyi, Gennady N. Chuev, Maxim V. Fedorov

Research output: Contribution to journalSpecial issue

Abstract

This abstract discusses reference interaction site models with structural descriptors correction as an efficient tool for hydration free energy predictions.
LanguageEnglish
Pages-
Number of pages1
JournalAbstracts of papers - American Chemical Society
Volume241
Publication statusPublished - 27 Mar 2011

Fingerprint

Hydration
Free energy

Keywords

  • interaction site model
  • energy predictions

Cite this

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title = "Reference interaction site model with structural descriptors correction as an efficient tool for hydration free energy predictions",
abstract = "This abstract discusses reference interaction site models with structural descriptors correction as an efficient tool for hydration free energy predictions.",
keywords = "interaction site model, energy predictions",
author = "Ratkova, {Ekaterina L.} and Sergiievskyi, {Volodymyr P.} and Chuev, {Gennady N.} and Fedorov, {Maxim V.}",
year = "2011",
month = "3",
day = "27",
language = "English",
volume = "241",
pages = "--",
journal = "Abstracts of papers - American Chemical Society",
issn = "0065-7727",
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Reference interaction site model with structural descriptors correction as an efficient tool for hydration free energy predictions. / Ratkova, Ekaterina L.; Sergiievskyi, Volodymyr P.; Chuev, Gennady N.; 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 - Reference interaction site model with structural descriptors correction as an efficient tool for hydration free energy predictions

AU - Ratkova, Ekaterina L.

AU - Sergiievskyi, Volodymyr P.

AU - Chuev, Gennady N.

AU - Fedorov, Maxim V.

PY - 2011/3/27

Y1 - 2011/3/27

N2 - This abstract discusses reference interaction site models with structural descriptors correction as an efficient tool for hydration free energy predictions.

AB - This abstract discusses reference interaction site models with structural descriptors correction as an efficient tool for hydration free energy predictions.

KW - interaction site model

KW - energy predictions

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 -