Comparison of ab Initio, DFT, and Semiempirical QM/MM Approaches for Description of Catalytic Mechanism of Hairpin Ribozyme
Vojtěch Mlýnský(Czech Academy of Sciences, Institute of Biophysics), Michal Otyepka(VSB - Technical University of Ostrava), Marc W. van der Kamp(University of Bristol), Jiřı́ Šponer(Czech Academy of Sciences, Institute of Biophysics), Adrian J. Mulholland(University of Bristol), Pavel Banáš(Regional Centre of Advanced Technologies and Materials)
Cited by 70
Related Papers
Functionalization of Graphene: Covalent and Non-Covalent Approaches, Derivatives and Applications
|Chemical Reviews|2012|4.1k
Refinement of the Cornell et al. Nucleic Acids Force Field Based on Reference Quantum Chemical Calculations of Glycosidic Torsion Profiles
|Journal of Chemical Theory and Computation|2011|1.3k
Graphitic Nitrogen Triggers Red Fluorescence in Carbon Dots
|ACS Nano|2017|811
RNA Structural Dynamics As Captured by Molecular Simulations: A Comprehensive Overview
|Chemical Reviews|2018|659
Stabilizing and Modulating Color by Copigmentation: Insights from Theory and Experiment
|Chemical Reviews|2016|625