Extension of the CHARMM general force field to sulfonyl-containing compounds and its utility in biomolecular simulations
Article first published online: 23 JUL 2012
Copyright © 2012 Wiley Periodicals, Inc.
Journal of Computational Chemistry
Volume 33, Issue 31, pages 2451–2468, 5 December 2012
How to Cite
Yu, W., He, X., Vanommeslaeghe, K. and MacKerell, A. D. (2012), Extension of the CHARMM general force field to sulfonyl-containing compounds and its utility in biomolecular simulations. J. Comput. Chem., 33: 2451–2468. doi: 10.1002/jcc.23067
- Issue published online: 18 OCT 2012
- Article first published online: 23 JUL 2012
- Manuscript Accepted: 24 JUN 2012
- Manuscript Revised: 14 JUN 2012
- Manuscript Received: 11 APR 2012
- NIH. Grant Number: GM051501, GM070855, CA107331
- NSF. Grant Number: CHE-0823198
- Samuel Waxman Cancer Foundation
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