Title : Exceptional thermodynamic stability of DNA duplexes modified by nonpolar base analogues is due to increased stacking interactions and favorable solvation: Correlated ab initio calculations and molecular dynamics simulations.

Pub. Date : 2006 Apr 24

PMID : 16502452






1 Functional Relationships(s)
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1 The selectivity of the base-analogue pair was reproduced (model B) when their desolvation energy was included with the interaction energy of both strands determined by the approximate SCC-DFTB-D method. dftb serpin family B member 3 Homo sapiens