MD simulations of Human Sigma1 Receptor Trimer Uncovers Cholesterol Dependent Stabilization and Ligand Specific Dynamics
Vittoria Nanna, Costanza Paternoster, Alessio Bartocci…·Giuseppe Felice Mangiatordi
Across 12 µs of all-atom simulations, cholesterol stabilizes the sigma-1 receptor trimer, while haloperidol, unlike (+)-pentazocine, engages β6-strand W136 to tighten interprotomer coupling.