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Blockade of Neuronal α7-nAChR by α-Conotoxin ImI Explained by Computational Scanning and Energy Calculations

Rilei Yu, David J. Craik, Quentin Kaas, James Briggs
2011 PLoS Computational Biology  
Citation: Yu R, Craik DJ, Kaas Q (2011) Blockade of Neuronal a7-nAChR by a-Conotoxin ImI Explained by Computational Scanning and Energy Calculations. PLoS Comput Biol 7(3): e1002011.  ...  Overall, this study provides novel insights into the binding mechanism of a-conotoxins to nAChRs and the methodological developments reported here open avenues for computational scanning studies of a rapidly  ...  Roitberg and Dr. Jason M. Swails for their latest version of MMPBSA.py script and excellent technical assistance. Author Contributions  ... 
doi:10.1371/journal.pcbi.1002011 pmid:21390272 pmcid:PMC3048385 fatcat:3oq2pvx3kjh2boqq3zpe4ukkje