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

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 journal › Special issue › peer-review

Abstract

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

Original language	English
Pages (from-to)	-
Number of pages	1
Journal	Abstracts of papers - American Chemical Society
Volume	241
Publication status	Published - 27 Mar 2011

Keywords

interaction site model
energy predictions

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@article{e580bfcd311b47fbaea7b8a2e1b80165,

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 = mar,

day = "27",

language = "English",

volume = "241",

pages = "--",

journal = "Abstracts of papers - American Chemical Society",

issn = "0065-7727",

publisher = "American Chemical Society",

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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

SN - 0065-7727

VL - 241

SP - -

JO - Abstracts of papers - American Chemical Society

JF - Abstracts of papers - American Chemical Society

ER -

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

Abstract

Keywords

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