Assessing the Current State of Amber Force Field Modifications for DNA-Reference-Cited by-同舟云学术

Assessing the Current State of Amber Force Field Modifications for DNA

Published:2016-07-07 Issue:8 Volume:12 Page:4114-4127
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Galindo-Murillo Rodrigo¹,Robertson James C.¹,Zgarbová Marie²,Šponer Jiří²³,Otyepka Michal²,Jurečka Petr²,Cheatham Thomas E.¹

Affiliation:

1. Department of Medicinal Chemistry, University of Utah, 2000 East 30 South, Skaggs 105, Salt Lake City, Utah 84112, United States

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

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

Funder

Ministerstva Školství, Mládeže A Telovýchovy

Czech Science Foundation

National Institute of General Medical Sciences

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.6b00186

Reference83 articles.

1. Unraveling the sequence-dependent polymorphic behavior of d(CpG) steps in B-DNA

2. Structure of a B-DNA dodecamer: conformation and dynamics.

3. On the absence of intrahelical DNA dynamics on the μs to ms timescale

4. DNA Backbone BI/BII Distribution and Dynamics in E2 Protein-Bound Environment Determined by Molecular Dynamics Simulations

5. μABC: a systematic microsecond molecular dynamics study of tetranucleotide sequence effects in B-DNA

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