A mixed quantum mechanics/molecular mechanics (QM/MM) method for large-scale modeling of chemistry in protein environments
Article first published online: 14 NOV 2000
Copyright © 2000 John Wiley & Sons, Inc.
Journal of Computational Chemistry
Special Issue: Quantum Chemical Methods for Large Molecules
Volume 21, Issue 16, pages 1442–1457, December 2000
How to Cite
Murphy, R. B., Philipp, D. M. and Friesner, R. A. (2000), A mixed quantum mechanics/molecular mechanics (QM/MM) method for large-scale modeling of chemistry in protein environments. J. Comput. Chem., 21: 1442–1457. doi: 10.1002/1096-987X(200012)21:16<1442::AID-JCC3>3.0.CO;2-O
- Issue published online: 14 NOV 2000
- Article first published online: 14 NOV 2000
- Manuscript Accepted: 13 JUL 2000
- Manuscript Received: 30 APR 2000
- Institute of General Medical Sciences. Grant Number: GM-40526
- Division of Research Resources via the Columbia Center for Biomolecular Simulation. Grant Number: P41-RR06892
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