Review Article

Development and current status of the CHARMM force field for nucleic acids

  1. Alexander D. MacKerell Jr.*,
  2. Nilesh Banavali†,
  3. Nicolas Foloppe‡

Article first published online: 4 DEC 2001

DOI: 10.1002/1097-0282(2000)56:4<257::AID-BIP10029>3.0.CO;2-W

Issue

Biopolymers

Biopolymers

Volume 56, Issue 4, pages 257–265, 2000

Additional Information

How to Cite

MacKerell, A. D., Banavali, N. and Foloppe, N. (2000), Development and current status of the CHARMM force field for nucleic acids. Biopolymers, 56: 257–265. doi: 10.1002/1097-0282(2000)56:4<257::AID-BIP10029>3.0.CO;2-W

Author Information

  1. Department of Pharmaceutical Sciences, School of Pharmacy, University of Maryland, 20 N. Pine Street, Baltimore, MD 21201

  1. †

    Weill Medical College of Cornell University, Biochemistry Department, 1300 York Avenue, New York, NY 10021

  2. ‡

    RiboTargets, Granta Park, Abington, Cambridgeshire, CB1 6GB, UK

*Department of Pharmaceutical Sciences, School of Pharmacy, University of Maryland, 20 N. Pine Street, Baltimore, MD 21201

Publication History

  1. Issue published online: 4 DEC 2001
  2. Article first published online: 4 DEC 2001
  3. Manuscript Received: 15 MAR 2001
  4. Manuscript Accepted: 15 MAR 2001

Funded by

  • NIH. Grant Number: GM51501

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Keywords:

  • CHARMM;
  • force field;
  • molecular mechanics;
  • empirical;
  • molecular dynamics;
  • DNA;
  • RNA

Abstract

The CHARMM27 all-atom force field for nucleic acids represents a highly optimized model for investigations of nucleic acids via empirical force field calculations. The force field satisfactorily treats the A, B, and Z forms of DNA as well as RNA, and it also useful for nucleosides and nucleotides. In addition, it is compatible with the CHARMM force fields for proteins and lipids, allowing for simulation studies of heterogeneous systems. © 2001 John Wiley & Sons, Inc. Biopolymers (Nucleic Acid Sci) 56: 257–265, 2001

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