<b>Dissociation Kinetics of G </b><b>P</b><b>roteins from G </b><b>P</b><b>rotein-Coupled Receptors and Effects of Allosteric Modulation</b>

Simulation files have been shared in folders for each of the simulated GPCR-G protein complex systems, including “a2aar-gi”, “b1ar-gs-norepinephrine”, “b2ar-gs-isoproterenol”, “a2aar-gs”, “m2r-go”, “a1ar-nec-g”, “a1ar-nec-g-t62”, and “a1ar-nec-g-vcp521”. Each folder contains the input files (prmtop, pdb, md.in, gamd-restart.in, md-restart.in) used for the simulations, as well as the simulation trajectories of each independent PPI-GaMD run. The “intermediates” folder contains PDB files of the low-energy intermediate conformational states of the “b2ar-gs-isoproterenol”, “a1ar-nec-g”, “a1ar-nec-g-t62”, and “a1ar-nec-g-vcp521” complexes.