遇见数据集

Imatinib docking into the native targets (CSF-1R<sup>WT</sup> and KIT<sup>WT</sup>) and their mutants (CSF-1R<sup>D802V</sup>, KIT<sup>V560G</sup>, KIT<sup>S628N</sup> and KIT<sup>D816V</sup>).

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The two energy values, the GLIDE and Induced Fit Docking (IFD) scores, were produced with MAESTRO (Schrödinger release, 2014). The RMSD values were calculated for the predicted docking poses taking crystallographic structure 1T46 as a reference. The IC50 values (μM) are taken from the literature.

创建时间:
2016-09-28
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