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
Zdroj: In Journal of Molecular Structure 15 May 2020 1208
Databáze: ScienceDirect