Cellular environments can significantly influence the structure of dynamics of biological macromolecules. Many studies have focused on cytoplasmic crowding effects but little is known to date how proteins inside a cell interact non-specifically with membrane surfaces. Especially the interaction of proteins that are not expected to insert into lipid bilayers or interact non-specifically with membrane surfaces is not well understood. Here, simulations of dense protein solutions consisting of mixtures of villin, protein G, and ubiquitin with and without a phospholipid bilayer are presented to analyze the effect of the membrane on protein interactions, stability, and their diffusive behavior. Results from atomistic simulations were combined with coarse-grained modeling to span a wide range of temporal and spatial scales. Key findings are that the presence of the membrane appears to enhance non-specific protein-protein interactions near the membrane while the diffusion of proteins is reduced at the membrane interface at low concentrations but accelerated at higher protein concentrations.<br/>

Simulations of crowded environments near membrane interfaces

2019 Spring National Meeting

The official archive and repository for all ACS Meetings & Expositions abstracts and select posters or presentations.