Dynamic Association of SS-31 with Cardiolipin and the PLSCR3 Interface in a Model Inner-Membrane Bilayer
Abstract
A membrane-embedded interaction study modeling the aromatic-cationic tetrapeptide SS-31 against cardiolipin and a PLSCR3 interface model. Association trajectories were sampled and characterized by electrostatic contact persistence and aromatic stacking occupancy. Reported as structural reference data; no physiological effect is asserted.
Methods
- 01Bilayer construction : cardiolipin-enriched inner-membrane model
- 02Association sampling : all-atom dynamics, multiple replicas
- 03Contact analysis : salt-bridge persistence, π-stacking occupancy
- 04Anonymized trajectory export : reference frames only
DISCLOSURE : This report presents anonymized in-silico and/or observational reference data. It does not establish a causal relationship between any catalogued material and any physiological outcome, and it is not a claim of safety, efficacy, or benefit.
Compounds referenced
This note surveys published work on the following compound. They are research materials, not treatments, and nothing here indicates they are suitable for any use in humans.