Molecular Docking, Molecular Dynamics Simulation, and Pharmacophore-Based Virtual Screening Unveil Natural Compounds with TIM-3 Inhibitory Activity
分子对接、分子动力学模拟和基于药效团的虚拟筛选揭示了具有TIM-3抑制活性的天然化合物
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doi:10.4103/jpbs.jpbs_402_25
Alzain, Abdulrahim A; Almogaddam, Mohammed A; Yousif, Rayan; Alqarni, Mohammed Hamed; Foudah, Ahmed I; Osman, Wadah; Elamin, Khaled M; Mohamed, Hagar M; Moglad, Ehssan; Ashour, Ahmed; Samra, Reham M; Mohamed, Gamal A; Ibrahim, Sabrin R M