Derivation of reliable geometries in QM calculations of DNA structures: explicit solvent QM/MM and restrained implicit solvent QM optimizations of G-quadruplexes.
Gkionis, Konstantinos, Kruse, Holger, Sponer, JiriLanguage:
english
Journal:
Journal of Chemical Theory and Computation
DOI:
10.1021/acs.jctc.5b01025
Date:
February, 2016
File:
PDF, 6.77 MB
english, 2016