Stacking interactions involving non-Watson–Crick basepairs: dispersion corrected density functional theory studies

Satyabrata Maiti, Dhananjay Bhattacharyya
2017 Physical Chemistry, Chemical Physics - PCCP  
Stacking interactions between a non Watson–Crick G:A S:HT basepair and C:G basepair is predicted in terms of roll, twist and slide basepair step parameters using DFT-D augmented with coarse-grain energy penalty for sugar–phosphate backbone.
doi:10.1039/c7cp04904h pmid:29043327 fatcat:duzqbm36zrgyzdw7qysf6a5svi