Effect of water continuum on the interaction energy of DNA base-pairs: A Hartree-Fock self-consistent reaction field study

Authors
Sivanesan, D Subramanian, V Nair, BU Ramasami, T
Citation
D. Sivanesan et al., Effect of water continuum on the interaction energy of DNA base-pairs: A Hartree-Fock self-consistent reaction field study, I J CHEM A, 39(1-3), 2000, pp. 132-138
Citations number
39
Categorie Soggetti
Chemistry
Journal title
INDIAN JOURNAL OF CHEMISTRY SECTION A-INORGANIC BIO-INORGANIC PHYSICAL THEORETICAL & ANALYTICAL CHEMISTRY
ISSN journal
03764710 → ACNP
Volume
39
Issue
1-3
Year of publication
2000
Pages
132 - 138
Database
ISI
SICI code
0376-4710(200001/03)39:1-3<132:EOWCOT>2.0.ZU;2-X
Abstract
The stability of several base-pairs has been calculated in water medium usi ng self-consistent reaction field theory (SCRF) in the framework of Hartree -Fock (HF) theory formalism. The nomenclature used by Sponer et al. (J phys Chem, 100(1996) 1965) have been used for all the base- pairs investigated in this work. The binding energy is found to increase for TAH, GT2, GCl, GA 4, and GG3 basepairs whereas, it decreases for GCWC, GCNEW, TARH, AC1, GT1, and TT1 base- pairs in solvent environment. The polarizing cavity around t he base -pairs influences the primary electrostatic contribution arising fr om dipole-dipole interaction and charge distribution.