INTEGRAL-EQUATIONS THEORY OF LIQUID FOR S TUDYING OF HYDRATION OF MACROMOLECULES

Authors
TIKHONOV DA POLOZOV RV GORELOV AV TIMOSHENKO EG KUZNETSOV YA PANCHENKO LA DAWSON KA
Citation
Da. Tikhonov et al., INTEGRAL-EQUATIONS THEORY OF LIQUID FOR S TUDYING OF HYDRATION OF MACROMOLECULES, Biofizika, 42(5), 1997, pp. 1054-1065
Citations number
22
Categorie Soggetti
Biophysics
Journal title
Biofizika → ACNP
ISSN journal
00063029
Volume
42
Issue
5
Year of publication
1997
Pages
1054 - 1065
Database
ISI
SICI code
0006-3029(1997)42:5<1054:ITOLFS>2.0.ZU;2-B
Abstract
An efficient numerical algorithm for solving integral equations of the theory of liquid in the RISM approximation for infinitely diluted sol ution of macromolecules with a large number of atoms is proposed. The algorithm is based on applying the non-stationary iterative methods fo r solving systems of linear algebraic equations. Using this technique we have calculated the solvent-solute atom-atom correlation functions for short fragment of DNA duplex of varying length in aqueous solution .