Screening Enamine Fragments Library in the Quest for Novel SOS2 Inhibitors: Pharmacophore Modelling, Molecular Docking, MMGBSA Calculations, and MD Simulation
筛选烯胺片段库以寻找新型SOS2抑制剂:药效团建模、分子对接、MMGBSA计算和MD模拟
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doi:10.4103/jpbs.jpbs_534_25
Alzain, Abdulrahim A; Almogaddam, Mohammed A; Makki, Alaa A; Edris, Alaa; Mohamed, Hagar M; Ehaimir, Sitelbanat Y; Mohamed, Shaimaa G A; Taher Felemban, Sarah Ameen; Hammad Alshammari, Wedad Hamad; Mohamed, Gamal A; Ibrahim, Sabrin R M