This article includes Supplementary Material available from the authors upon request or via the Internet at http://www.interscience.wiley.com/jpages/0192-8651/suppmat.
Extending the treatment of backbone energetics in protein force fields: Limitations of gas-phase quantum mechanics in reproducing protein conformational distributions in molecular dynamics simulations†
Article first published online: 2 JUN 2004
Copyright © 2004 Wiley Periodicals, Inc.
Journal of Computational Chemistry
Volume 25, Issue 11, pages 1400–1415, August 2004
How to Cite
Mackerell, A. D., Feig, M. and Brooks, C. L. (2004), Extending the treatment of backbone energetics in protein force fields: Limitations of gas-phase quantum mechanics in reproducing protein conformational distributions in molecular dynamics simulations. J. Comput. Chem., 25: 1400–1415. doi: 10.1002/jcc.20065
- Issue published online: 2 JUN 2004
- Article first published online: 2 JUN 2004
- Manuscript Accepted: 29 MAR 2004
- Manuscript Received: 19 MAR 2004
- NIH. Grant Numbers: GM51501, GM37554, RR12255
- DOD. Grant Number: DAMD17-03-2-0012
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