Comparison of ab Initio, DFT, and Semiempirical QM/MM Approaches for Description of Catalytic Mechanism of Hairpin Ribozyme-Reference-Cited by-同舟云学术

Comparison of ab Initio, DFT, and Semiempirical QM/MM Approaches for Description of Catalytic Mechanism of Hairpin Ribozyme

Published:2014-03-05 Issue:4 Volume:10 Page:1608-1622
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Mlýnský Vojtěch¹,Banáš Pavel¹,Šponer Jiří²³,van der Kamp Marc W.⁴,Mulholland Adrian J.⁴,Otyepka Michal¹

Affiliation:

1. Regional Centre of Advanced Technologies and Materials, Department of Physical Chemistry, Faculty of Science, Palacky University, tr. 17 listopadu 12, 771 46, Olomouc, Czech Republic

2. Institute of Biophysics, Academy of Sciences of the Czech Republic, Kralovopolska 135, 612 65 Brno, Czech Republic

3. CEITEC—Central European Institute of Technology, Masaryk University, Campus Bohunice, Kamenice 5, 625 00 Brno, Czech Republic

4. Centre for Computational Chemistry, School of Chemistry, University of Bristol, Cantock’s Close, Bristol BS8 1TS, U.K.

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/ct401015e

Reference118 articles.

1. The origins of RNA catalysis in ribozymes

2. The catalytic diversity of RNAs

3. Structure and function of the hairpin ribozyme

4. Comparative Enzymology and Structural Biology of RNA Self-Cleavage

5. The hairpin ribozyme: structure, assembly and catalysis

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