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Docking and MM-GBSA energy profiles of control drugs and screened phytochemicals during their interaction with BChE.

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https://figshare.com/articles/dataset/Docking_and_MM-GBSA_energy_profiles_of_control_drugs_and_screened_phytochemicals_during_their_interaction_with_BChE_/19893254
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Docking and MM-GBSA energy profiles of control drugs and screened phytochemicals during their interaction with BChE.

对照药物及经筛选的植物化学成分与丁酰胆碱酯酶(Butyrylcholinesterase,BChE)相互作用时的分子对接(Molecular Docking)与分子力学-广义玻恩表面积法(Molecular Mechanics-Generalized Born Surface Area,MM-GBSA)能量谱
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2022-05-26
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