Reference Simulations of Noncanonical Nucleic Acids with Different χ Variants of the AMBER Force Field: Quadruplex DNA, Quadruplex RNA, and Z-DNA-Reference-Cited by-同舟云学术

Reference Simulations of Noncanonical Nucleic Acids with Different χ Variants of the AMBER Force Field: Quadruplex DNA, Quadruplex RNA, and Z-DNA

Published:2012-06-25 Issue:7 Volume:8 Page:2506-2520
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Krepl Miroslav¹,Zgarbová Marie²,Stadlbauer Petr¹,Otyepka Michal²,Banáš Pavel²,Koča Jaroslav³⁴,Cheatham Thomas E.⁵,Jurečka Petr²,Šponer Jiří¹³

Affiliation:

1. Institute of Biophysics, Academy of Sciences of the Czech Republic, Kralovopolska 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

4. National Center for Biomolecular Research, Masaryk University, Campus Bohunice, Kamenice 5, 625 00 Brno, Czech Republic

5. Department of Medicinal Chemistry, College of Pharmacy, University of Utah, Salt Lake City, Utah, United States

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/ct300275s

Reference69 articles.

1. Molecular Dynamics and Quantum Mechanics of RNA: Conformational and Chemical Change We Can Believe In

2. Dependence of A-RNA simulations on the choice of the force field and salt strength

3. Evaluation of DNA Force Fields in Implicit Solvation

4. A Second Generation Force Field for the Simulation of Proteins, Nucleic Acids, and Organic Molecules

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