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Computational investigation of the selectivity mechanisms of PI3Kδ inhibition with marketed idelalisib: combined molecular dynamics simulation and free energy calculation
Zhu, Jingyu, Zhang, Haoer, Yu, Li, Sun, Heyang, Chen, Yun, Cai, Yanfei, Li, Huazhong, Jin, JianJournal:
Structural Chemistry
DOI:
10.1007/s11224-020-01643-4
Date:
September, 2020
File:
PDF, 1.83 MB
2020