Comparison of ab Initio, DFT, and Semiempirical QM/MM Approaches for Description of Catalytic Mechanism of Hairpin Ribozyme
Mlýnský, Vojtěch, Banáš, Pavel, Šponer, Jiří, van der Kamp, Marc W., Mulholland, Adrian J., Otyepka, MichalVolume:
10
Langue:
english
Journal:
Journal of Chemical Theory and Computation
DOI:
10.1021/ct401015e
Date:
April, 2014
Fichier:
PDF, 6.03 MB
english, 2014