Salvatore Chiantia

Sep 13, 2024 | biorxiv.org | Carmelo Tempra |Victor Cruces Chamorro |Titas Mandal |Salvatore Chiantia

AbstractRecent advances in hydrodynamic theory have revealed the severe effect of periodic boundary conditions (PBCs) on the diffusive dynamics of lipid membranes in molecular dynamics simulations. Even when accounting for PBC effects, the corrected lipid diffusion coefficients often severely overshoot the experimental estimates. Here, we investigate the underlying reasons for the exaggerated dynamics, and suggest potential ways for improvement.