Exploring the selectivity of PI3Kα and mTOR inhibitors by 3D-QSAR, molecular dynamics simulations and MM/GBSA binding free energy decomposition

Feng Wu, Xueyan Hou, Hao Luo, Meng Zhou, Wenjuan Zhang, Zhenyu Ding, Rui Li
  • MedChemComm, January 2013, Royal Society of Chemistry
  • DOI: 10.1039/c3md00157a

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