Optimization of the CHARMM Additive Force Field for DNA: Improved Treatment of the BI/BII Conformational Equilibrium-Reference-Cited by-同舟云学术

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Optimization of the CHARMM Additive Force Field for DNA: Improved Treatment of the BI/BII Conformational Equilibrium

Published:2011-12-16 Issue:1 Volume:8 Page:348-362
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Hart Katarina¹,Foloppe Nicolas²,Baker Christopher M.³,Denning Elizabeth J.³,Nilsson Lennart¹,MacKerell Alexander D.³

Affiliation:

1. Department of Biosciences and Nutrition, Center for Biosciences, Karolinska Institutet, SE-141 83 HUDDINGE, Sweden

2. 51 Natal Road, Cambridge CB1 3NY, United Kingdom

3. Department of Pharmaceutical Sciences, School of Pharmacy, University of Maryland, 20 Penn Street, Baltimore, Maryland 21201, United States

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/ct200723y

Reference81 articles.

1. Empirical force fields for biological macromolecules: Overview and issues

2. Recent advances in the study of nucleic acid flexibility by molecular dynamics

3. All-atom empirical force field for nucleic acids: I. Parameter optimization based on small molecule and condensed phase macromolecular target data

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

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