I will discuss several research topics in the group that touch upon the mechanism for membrane modeling by protein and nanoparticles. This involves identifying binding interface between protein/nanoparticle and multi-component lipid bilayers, determining the impact of binding on the local membrane curvature and potentially larger-scale morphological changes in the membrane, including the possibility of lipid extraction to form a corona around the nanoparticle. I will discuss models of different resolutions, going from atomistic models that include electronic polarization to continuum mechanics models, and I will highlight the importance of and challenges in cross-calibrating models of different scales (including explicit comparison to experimental observables) to avoid spectacular results that might be computational artifacts.<br/>

Atomistic and coarse-grained analyses of membrane remodeling by proteins and nanoparticles

2019 Fall National Meeting

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