DOI: 10.1039/d3cp03142j ISSN:
Dynamical characterization and multiple unbinding paths of two PreQ1 ligands in one pocket
Guodong Hu, Yonghong Zhang, Zhiping Yu, Tiejun Cui, Wanling Cui- Physical and Theoretical Chemistry
- General Physics and Astronomy
The unbinding of the preQ1 ligand at the α site occurs through two orthogonal pathways, which are contingent upon the presence or absence of a β site preQ1 ligand.