Enzyme Tunnel Dynamics and Catalytic Mechanism of Norcoclaurine Synthase: Insights from a Combined LiGaMD and DFT Study.

Autor: Wang, Xujian, Liu, Haodong, Wang, Jingyao, Chang, Le, Cai, Jiayang, Wei, Zexuan, Pan, Jiayu, Gu, Xiaohui, Li, Wan-Lu, Li, Jiahuang
Zdroj: Journal of Physical Chemistry B; 10/3/2024, Vol. 128 Issue 39, p9385-9395, 11p
Databáze: Supplemental Index