Deciphering the conformational transitions of LIMK2 active and inactive states to ponder specific druggable states through microsecond scale molecular dynamics simulation.

导出 LinkOut

翻译打印收藏纠错

作者： Hemavathy,Nagarajan ^[1] ; Ansar,Samdani ^[2] ; Vetrivel,Umashankar ^[3] ; Jeyaraman,Jeyakanthan ^[4]

作者单位： Structural Biology and Bio-Computing Lab, Department of Bioinformatics, Alagappa University, Science Block, Karaikudi, Tamil Nadu, 630003, India. ^[1] Centre for Bioinformatics, Kamalnayan Bajaj Institute for Research in Vision and Ophthalmology, Vision Research Foundation, Sankara Nethralaya, Chennai, Tamil Nadu, 600006, India. ^[2] Department of Bioinformatics, ICMR-National Institute of Traditional Medicine, Nehru Nagar, Belagavi, Karnataka, 590010, India. ^[3] Structural Biology and Bio-Computing Lab, Department of Bioinformatics, Alagappa University, Science Block, Karaikudi, Tamil Nadu, 630003, India. jjeyakanthan@alagappauniversity.ac.in. ^[4]

关键词 Activation loop Active DFG Inactive LIMK2 Microsecond Molecular dynamics simulation

主题词别构部位(Allosteric Site);结合部位(Binding Sites);分子构象(Molecular Conformation);分子动力学模拟(Molecular Dynamics Simulation);蛋白质构象(Protein Conformation)

DOI 10.1007/s10822-022-00459-0

PMID 35652973

发布时间 2022-09-07

翻译满意度评价：

准确一般字义偏差语意偏离译文作用小提交