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

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 journal › Special issue › peer-review

Abstract

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

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

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",

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 - 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

SN - 0065-7727

VL - 241

SP - -

JO - Abstracts of papers - American Chemical Society

JF - Abstracts of papers - American Chemical Society

ER -

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

Abstract

Keywords

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