Please use this identifier to cite or link to this item: http://nopr.niscair.res.in/handle/123456789/25767
Title: 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, Balachandran Unni
Ramasami, T
Issue Date: Mar-2000
Publisher: NISCAIR-CSIR, India
Abstract: The stability of several base-pairs has been calculated in water medium using self-consistent reaction field theory (SCRF) in the framework of Hartree-Fock (HF) theory formalism. The nomenclature used by Sponer etal. (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, GC1, GA4, and GG3 basepairs whereas, it decreases for GCWC, GCNEW, TARH, AC1, GT1, and TT1 base- pairs in solvent environment. The polarizing cavity around the base -pairs influences the primary electrostatic contribution arising from dipole-dipole interaction and charge distribution.
Page(s): 132-138
URI: http://hdl.handle.net/123456789/25767
ISSN: 0975-0975(Online); 0376-4710(Print)
Appears in Collections:IJC-A Vol.39A(01-03) [January-March 2000]

Files in This Item:
File Description SizeFormat 
IJCA 39A(01-03) 132-138.pdf1.53 MBAdobe PDFView/Open


Items in NOPR are protected by copyright, with all rights reserved, unless otherwise indicated.