Protein/RNA Phase Separation

Our group maintains a strong interest in the phase separation processes of intrinsically disordered proteins (IDPs). I am responsible for research involving TDP-43 and its interactions with RNA or drug molecules. My work includes back-mapping coarse-grained protein-RNA simulations to all-atom protein-RNA models to uncover the molecular mechanisms underlying RNA-mediated phase separation. Additionally, I study the effects of the drug molecule EGCG on the phase separation process.

Protein-Drug Assembly

HOOMD-blue/VMD: Assembly of TDP-43 CTD and EGCG

Slab Simulation

Coarse-grained

HOOMD-blue/Ovito: Protein-RNA slab simulation

All-atom

AMBER(Open-MM)/VMD: All-atom protein-RNA slab simulation

Disordered Protein Clustering

ChimeraX: Clustering of disordered proteins with bound drug molecules

Feel free to share!