Refinement of the Cornell et al. Nucleic Acids Force Field Based on Reference Quantum Chemical Calculations of Glycosidic Torsion Profiles-Reference-Cited by-同舟云学术

Refinement of the Cornell et al. Nucleic Acids Force Field Based on Reference Quantum Chemical Calculations of Glycosidic Torsion Profiles

Published:2011-08-02 Issue:9 Volume:7 Page:2886-2902
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Zgarbová Marie¹,Otyepka Michal¹²,Šponer Jiří¹²,Mládek Arnošt²,Banáš Pavel¹²,Cheatham Thomas E.³,Jurečka Petr¹

Affiliation:

1. Regional Centre of Advanced Technologies and Materials, Department of Physical Chemistry, Faculty of Science, Palacky University, 17 listopadu 12, 77146 Olomouc, Czech Republic

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

3. Departments of Medicinal Chemistry and Pharmaceutics and Pharmaceutical Chemistry, University of Utah, 2000 East 30 South Skaggs 201, Salt Lake City, Utah 84112, United States

Funder

National Institutes of Health

National Science Foundation

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/ct200162x

Reference93 articles.

1. A new force field for molecular mechanical simulation of nucleic acids and proteins

2. An all atom force field for simulations of proteins and nucleic acids