Reaction Mechanism of G-Proteins

This project employs computational methods to investigate the intricate mechanism of GTP hydrolysis in G-proteins and the conformational changes that drive their regulatory function.

G-proteins are small signalling proteins that hydrolyse guanosine triphosphate(GTP), cycling between active (GTP-bound) and inactive (GDP-bound) states. This nucleotide exchange triggers large conformational changes, modulating their interactions with receptors and effectors and functioning as molecular switches in various cellular processes. Our research focuses on the Ras superfamily of G-proteins, whose dysregulation has been implicated in multiple diseases. We employ computational free energy methods to investigate the intricate mechanism of GTP hydrolysis in G-proteins and the conformational changes that drive their regulatory function.

Collaborators: Dr. Yi Jin (https://www.yijin-lab.org/)