Detergent-mediated protein aggregation

► We simulated the spontaneous self-assembly of membrane protein and detergent. ► Four molecules of a membrane protein and 720 molecules of detergent in explicit water. ► Detergent self-aggregated into micelles, forming equatorial belts around the protein. ► Detergent micelles bound the protein's apical surfaces, mediating protein aggregation. ► Light scattering experiments support detergent-mediated protein aggregation.