Calculating stacking interactions in nucleic acid base-pair steps using spin-component scaling and local second order Møller–Plesset perturbation theory†
Abstract
Stacking interaction energies for ten B-DNA base-pair steps are computed with density fitted local second-order Møller–Plesset perturbation theory (DF-LMP2), and with the spin-component scaled (SCS) and spin-component scaled for
- This article is part of the themed collection: Stacking interactions