Molecular Mechanism and Dynamics Exploration

To investigate the structural and dynamic properties of biomolecules, revealing how they function in complex biological systems. 

This research focuses on unraveling the intricate behaviors of biomolecules at the atomic level using molecular dynamics simulations combined with physicochemical and AI-powered approaches. We aim to understand the molecular mechanisms that underlie diseases like cancer and viral infections and how these biomolecules interact with other biomolecules, drugs, or other therapeutic agents. 

Examples include studying how mutations in cancer-related proteins affect their dynamics and drug binding, or simulating viral envelope proteins to design more effective vaccines.