Exploring the selectivity of PI3Kα and mTOR inhibitors by 3D-QSAR, molecular dynamics simulations and MM/GBSA binding free energy decomposition
Feng Wu(Kunming University of Science and Technology), Rui Li(Sichuan University), Zhenyu Ding(Sichuan University), Xueyan Hou(Henan Medical University), Meng Zhou(Guiyang Medical University), Wenjuan Zhang(Sichuan University), Hao Luo(Army Medical University)
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