Role of bridging water molecules in GSK3β-inhibitor complexes: Insights from QM/MM, MD, and molecular docking studies
Article first published online: 5 APR 2011
Copyright © 2011 Wiley Periodicals, Inc.
Journal of Computational Chemistry
Volume 32, Issue 9, pages 1907–1918, 15 July 2011
How to Cite
Lu, S.-Y., Jiang, Y.-J., Lv, J., Zou, J.-W. and Wu, T.-X. (2011), Role of bridging water molecules in GSK3β-inhibitor complexes: Insights from QM/MM, MD, and molecular docking studies. J. Comput. Chem., 32: 1907–1918. doi: 10.1002/jcc.21775
- Issue published online: 25 APR 2011
- Article first published online: 5 APR 2011
- Manuscript Accepted: 21 JAN 2011
- Manuscript Revised: 2 JAN 2011
- Manuscript Received: 21 AUG 2010
- National High Technology Research and Development Program of China. Grant Numbers: 863 Programs, 2007AA02Z301
- Natural Science Foundation of China. Grant Number: 20803063
- Natural Science Foundation of Ningbo. Grant Number: 2010A610024
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