Decoding molecular mechanism of species-selective targeting of fungal versus human HSP90 using multiple replica molecular dynamics simulations and binding free energy calculations.

Autor: Cheng, Jinying, Yin, Xue, Wang, Lulu, Liu, Xianxian, Yang, Fang, Zhang, Liguo, Liu, Tonggang
Zdroj: Journal of Biomolecular Structure & Dynamics; 2024, Vol. 42 Issue 22, p12478-12488, 11p
Databáze: Complementary Index