Unbinding free energy of acetylcholinesterase bound oxime drugs along the gorge pathway from metadynamics-umbrella sampling investigation
Article first published online: 19 FEB 2014
© 2014 Wiley Periodicals, Inc.
Proteins: Structure, Function, and Bioinformatics
Volume 82, Issue 9, pages 1799–1818, September 2014
How to Cite
Pathak, A. K. and Bandyopadhyay, T. (2014), Unbinding free energy of acetylcholinesterase bound oxime drugs along the gorge pathway from metadynamics-umbrella sampling investigation. Proteins, 82: 1799–1818. doi: 10.1002/prot.24533
- Issue published online: 21 AUG 2014
- Article first published online: 19 FEB 2014
- Accepted manuscript online: 7 FEB 2014 05:12AM EST
- Manuscript Accepted: 28 JAN 2014
- Manuscript Revised: 17 JAN 2014
- Manuscript Received: 15 OCT 2013
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