Investigating the binding mechanism of sphingosine kinase 1/2 inhibitors: Insights into subtype selectivity by homology modeling, molecular dynamics simulation and free energy calculation studies
Autor: | Zhang, Jinmiao, Zhang, Maoyu, Yu, Jinying, Shang, Yanguo, Jiang, Kaixuan, Jia, Yihe, Wang, Jinxin, Yang, Kan |
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Zdroj: | In Journal of Molecular Structure 15 May 2020 1208 |
Databáze: | ScienceDirect |
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