Free energy and structure of polyproline peptides: An ab initio and classical molecular dynamics investigation
Article first published online: 24 AUG 2010
Copyright © 2010 Wiley Periodicals, Inc.
International Journal of Quantum Chemistry
Special Issue: Proceedings of the International Symposium on Theory and Computations in Molecular and Materials Sciences, Biology, and Pharmacology
Volume 110, Issue 15, pages 2865–2879, December 2010
How to Cite
Moradi, M., Lee, J.-G., Babin, V., Roland, C. and Sagui, C. (2010), Free energy and structure of polyproline peptides: An ab initio and classical molecular dynamics investigation. Int. J. Quantum Chem., 110: 2865–2879. doi: 10.1002/qua.22875
- Issue published online: 28 SEP 2010
- Article first published online: 24 AUG 2010
- Manuscript Accepted: 8 JUN 2010
- Manuscript Received: 28 APR 2010
- NSF. Grant Number: FRG-0804549
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