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:
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