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|Title:||Effect of water continuum on the interaction energy of DNA base- pairs: A Hartree-Fock self-consistent reaction field study|
Nair, Balachandran Unni
|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.|
|Appears in Collections:||IJC-A Vol.39A(01-03) [January-March 2000]|
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|IJCA 39A(01-03) 132-138.pdf||1.53 MB||Adobe PDF||View/Open|
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