This research was supported in part by a research grant from the Italian Ministry of Research (FIRB). We thank Dan Zhou for technical assistance and Renato Longhi for peptide synthesis. We are grateful to Prof. Wilfred van Gunsteren, Dr. M. Bonomi, F. L. Gervasio, and Dr. A. Barducci for useful discussions.
Use of Metadynamics in the Design of isoDGR-Based αvβ3 Antagonists To Fine-Tune the Conformational Ensemble†
Article first published online: 18 JAN 2011
Copyright © 2011 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim
Volume 123, Issue 8, pages 1872–1876, February 18, 2011
How to Cite
Spitaleri, A., Ghitti, M., Mari, S., Alberici, L., Traversari, C., Rizzardi, G.-P. and Musco, G. (2011), Use of Metadynamics in the Design of isoDGR-Based αvβ3 Antagonists To Fine-Tune the Conformational Ensemble. Angew. Chem., 123: 1872–1876. doi: 10.1002/ange.201007091
- Issue published online: 16 FEB 2011
- Article first published online: 18 JAN 2011
- Manuscript Received: 11 NOV 2010
- Italian Ministry of Research (FIRB)
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