Characterizing the potentially neuronal acetylcholinesterase reactivity toward chiral pyraclofos: Enantioselective insights from spectroscopy, in silico docking, molecular dynamics simulation and per-residue energy decomposition studies
| Autor: | Peng, Wei, Wang, Tao, Liang, Xiang-Rong, Yang, Yu-Sen, Wang, Qi-Zhao, Cheng, Hong-Fei, Peng, Yu-Kui, Ding, Fei |
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| Zdroj: | In Journal of Molecular Graphics and Modelling January 2022 110 |
| Databáze: | ScienceDirect |
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