Xin-Lan Zhuo

Gaussian accelerated molecular dynamics simulations reveal inhibitor-dependent loop dynamics in aminopeptidase N.

Aminopeptidase N (APN) is a critical exopeptidase that plays key roles in physiological processes such as tumor metastasis, immune regulation, and viral infections. However, the conformational dynamics associated with different APN inhibitors remain insufficiently understood, particularly whether inhibitors with varyin...