An extensible interface for QM/MM molecular dynamics simulations with AMBER
Article first published online: 9 OCT 2013
Copyright © 2013 Wiley Periodicals, Inc.
Journal of Computational Chemistry
Volume 35, Issue 2, pages 95–108, 15 January 2014
How to Cite
How to cite this article: J. Comput. Chem. 2014, 35, 95-108. DOI: 10.1002/jcc.23444, , .
- Issue published online: 8 DEC 2013
- Article first published online: 9 OCT 2013
- Manuscript Accepted: 31 AUG 2013
- Manuscript Revised: 5 AUG 2013
- Manuscript Received: 8 FEB 2013
- Department of Energy, ASCR, SciDAC (A.W.G.). Grant Number: DE-AC36-99G0-10337
- University of California (R.C.W.). Grant Number: 09-LR-06-117792
- National Science Foundation (R.C.W.). Grant Number: 1148276
- National Institutes of Health (A.W.G. and R.C.W.). Grant Number: 1R01GM100934-01
- NVIDIA (R.C.W.)
- National Science Foundation, XSEDE (A.W.G and R.C.W.). Grant Number: TG-CHE130010 and TG-CHE100149
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