In order to elucidate how phosphatidylserine (PS6) interacts with AQP5 within a cell membrane we create a cross types steered molecular dynamics (hSMD) method which involves (1) simultaneously steering two centers of mass of two decided on segments of the ligand and (2) equilibrating the ligand-protein complex with and without biasing the system. inhibit AQP5’s… Continue reading In order to elucidate how phosphatidylserine (PS6) interacts with AQP5 within