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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.
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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  • Peng W; School of Water and Environment, Chang'an University, Xi'an, 710054, China; Key Laboratory of Subsurface Hydrology and Ecological Effect in Arid Region of Ministry of Education, Chang'an University, Xi'an, 710054, China; State Key Laboratory of Physical Chemistry of Solid Surfaces and Fujian Provinc
  • Wang T; School of Water and Environment, Chang'an University, Xi'an, 710054, China; Key Laboratory of Subsurface Hydrology and Ecological Effect in Arid Region of Ministry of Education, Chang'an University, Xi'an, 710054, China.
  • Liang XR; School of Water and Environment, Chang'an University, Xi'an, 710054, China.
  • Yang YS; School of Water and Environment, Chang'an University, Xi'an, 710054, China.
  • Wang QZ; School of Water and Environment, Chang'an University, Xi'an, 710054, China; Key Laboratory of Subsurface Hydrology and Ecological Effect in Arid Region of Ministry of Education, Chang'an University, Xi'an, 710054, China.
  • Cheng HF; School of Earth Science and Resources, Chang'an University, Xi'an, 710054, China.
  • Peng YK; Xining Center for Agricultural Product Quality and Safety Testing, Xining, 810016, China.
  • Ding F; School of Water and Environment, Chang'an University, Xi'an, 710054, China; Key Laboratory of Subsurface Hydrology and Ecological Effect in Arid Region of Ministry of Education, Chang'an University, Xi'an, 710054, China; Department of Agricultural Chemistry, Qingdao Agricultural University, Qingdao,
J Mol Graph Model ; 110: 108069, 2022 01.
Article em En | MEDLINE | ID: mdl-34773872
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Texto completo: 1 Base de dados: MEDLINE Assunto principal: Acetilcolinesterase / Simulação de Dinâmica Molecular Idioma: En Ano de publicação: 2022 Tipo de documento: Article
Texto completo
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XML
PubMed Links
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Texto completo: 1 Base de dados: MEDLINE Assunto principal: Acetilcolinesterase / Simulação de Dinâmica Molecular Idioma: En Ano de publicação: 2022 Tipo de documento: Article