Table S1.

List of present GaMD simulations performed on the M₂ muscarinic receptor that is bound by the full agonist IXO, partial agonist ARC, and inverse agonist QNB, in the presence or absence of the G-protein mimetic nanobody Nb9-8

System	Natoms	Dimension, Å3	GaMD production simulations, ns
M2-Nb–IXO	75,278	88 × 88 × 113	500, 500, 400
M2-Nb–ARC	75,272	88 × 88 × 113	400, 400, 400
M2-QNB	52,698	88 × 85 × 88	400, 400, 400
M2-ARC	55,262	88 × 88 × 86	2,030, 1,520, 1,190, 650, 650, 650, 620, 600, 600, 540
M2-IXO	55,268	88 × 88 × 86	1,050, 1,000, 940, 500, 500, 500, 500, 480, 450, 410