Sivanesan, D. ; Subramanian, V. ; Nair, Balachandran Unni ; Ramasami, T. (2000) Effect of water continuum on the interaction energy of DNA base- pairs: a Hartree-Fock self-consistent reaction field study Indian Journal of Chemistry, 39A (1-3). pp. 132-138. ISSN 0376-4710
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Official URL: http://nopr.niscair.res.in/handle/123456789/25767
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.
| Item Type: | Article |
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| Source: | Copyright of this article belongs to National Institute of Science Communication and Information Resources. |
| ID Code: | 107940 |
| Deposited On: | 01 Dec 2017 12:20 |
| Last Modified: | 01 Dec 2017 12:20 |
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