Haohao Fu

This study investigates the ligand binding kinetics, thermodynamics, and gating of the insect odorant receptor MhOR5 using molecular dynamics simulations, revealing key structural determinants and differences in ligand behavior.

The paper compares aromatic ring flip kinetics in GB1 protein across crystals, IgG complexes, and solution, showing reduced flipping in crystals and revealing how crystal environments restrain motion.