Estimation of interaction energy of some functional groups of medical substances with protein molecules in water condition

Bibliographic Details
Parent link:	Bulletin of the Tomsk Polytechnic University/ Tomsk Polytechnic University (TPU).— , 2006-2007 Vol. 309, № 4.— 2006.— [P. 93-95]
Main Author:	Bondarev А. А.
Other Authors:	Smirnov I. V.
Summary:	Заглавие с титульного листа Электронная версия печатной публикации The basic energetic effects when forming organic substance complexes with protein molecules which determine thermodynamics of this process are examines using nonempirical quantum-chemical DFT method. Complex formation is considered as a replacement of water in solvated protein and organic compound molecules. Determinative role of strong hydrogen bonds and hydrophobic effect in strength of the complexes is shown.
Published:	2006
Series:	Technical sciences
Subjects:	estimation energy interaction functional groups medical substances protein molecules water condition quantum-chemical method nonempirical method energetic effects complexes organic substances thermodynamics complex formation replacement water solvated molecules proteins organic compounds hydrogen bonds hydrophobic effects strength электронный ресурс
Online Access:	http://www.lib.tpu.ru/fulltext/v/Bulletin_TPU/2006/v309eng/i4/22.pdf
Format:	Electronic Book Chapter
KOHA link:	https://koha.lib.tpu.ru/cgi-bin/koha/opac-detail.pl?biblionumber=180049

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