通过基于药理的 3D-QSAR 建模、ADMET、分子对接和 MD 模拟研究,虚拟筛选乙酰胆碱酯酶抑制剂

Hitesh Kumar, A. K. Datusalia, Gopal L. Khatik
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Virtual screening of acetylcholinesterase inhibitors through pharmacophore-based 3D-QSAR modeling, ADMET, molecular docking, and MD simulation studies
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