Comparison of a QM/MM force field and molecular mechanics force fields in simulations of alanine and glycine “dipeptides” (Ace-Ala-Nme and Ace-Gly-Nme) in water in relation to the problem of modeling the unfolded peptide backbone in solution
Version of Record online: 10 JAN 2003
Copyright © 2003 Wiley-Liss, Inc.
Proteins: Structure, Function, and Bioinformatics
Volume 50, Issue 3, pages 451–463, 15 February 2003
How to Cite
Hu, H., Elstner, M. and Hermans, J. (2003), Comparison of a QM/MM force field and molecular mechanics force fields in simulations of alanine and glycine “dipeptides” (Ace-Ala-Nme and Ace-Gly-Nme) in water in relation to the problem of modeling the unfolded peptide backbone in solution. Proteins, 50: 451–463. doi: 10.1002/prot.10279
- Issue online: 10 JAN 2003
- Version of Record online: 10 JAN 2003
- Manuscript Accepted: 19 AUG 2002
- Manuscript Received: 3 JUN 2002
- National Center for Research Resources, U.S. National Institutes of Health. Grant Number: RR08012
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