Energies and 2′-Hydroxyl Group Orientations of RNA Backbone Conformations. Benchmark CCSD(T)/CBS Database, Electronic Analysis, and Assessment of DFT Methods and MD Simulations-Reference-Cited by-同舟云学术

Energies and 2′-Hydroxyl Group Orientations of RNA Backbone Conformations. Benchmark CCSD(T)/CBS Database, Electronic Analysis, and Assessment of DFT Methods and MD Simulations

Published:2013-11-22 Issue:1 Volume:10 Page:463-480
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Mládek Arnošt¹,Banáš Pavel²,Jurečka Petr²,Otyepka Michal²,Zgarbová Marie²,Šponer Jiří¹³

Affiliation:

1. Institute of Biophysics, Academy of Sciences of the Czech Republic, Královopolská 135, 612 65 Brno, Czech Republic

2. 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

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

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/ct400837p

Reference146 articles.

1. Geometric nomenclature and classification of RNA base pairs

2. The non-Watson-Crick base pairs and their associated isostericity matrices

3. Quantum Chemical Studies of Nucleic Acids: Can We Construct a Bridge to the RNA Structural Biology and Bioinformatics Communities?

4. Analysis of RNA motifs

5. Classification and energetics of the base-phosphate interactions in RNA

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