In order to obtain more information about the RT receptor interaction with theseinhibitors we performed further studies based on molecular docking.
为了获取更多的抑制剂与RT受体的相互作用关系信息，我们进行了分子对接研究。
参考来源 - HIVThe binding modes of curcumin in the ATP binding region of PAK1 through molecular docking studies confirmed its effect as an ATP-competitive inhibitor.4.
3、计算机分子模拟对接验证姜黄素可以作为ATP竞争抑制剂。
参考来源 - 姜黄素通过下调PAK1活性和cyclin D1表达抑制人胃癌细胞的增殖与侵袭In Chapter 3, molecular docking and 3D-QSAR approches were applied to molecular modeling of a series of Rho kinase inhibitors.
第三章中,我们对一系列Rho激酶抑制剂进行分子对接和3D-QSAR研究。
参考来源 - 几类激酶抑制剂的分子模拟研究·2,447,543篇论文数据，部分数据来源于NoteExpress
Selected the compounds by the result of molecular docking and did post-docking analysis.
分子对接及对接后分析；4神经氨酸酶抑制模型的建立及待测化合物的活性检测。
Homology modeling; molecular docking; Steered molecular dynamics; Inhibitor; Selectivity.
同源模建；分子对接；拉伸分子动力学；抑制剂；选择性。
The main contents include homology modeling, molecular docking, molecular dynamics simulation.
主要包括同源模建、分子对接、分子动力学等的研究。
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