When: December 7, 2016, 2:00 PM
Location: 3rd Floor Orchard View Room , Discovery Building
Contact: 608-316-4401, firstname.lastname@example.org
Bottom-up, multiscale simulations of biological interfaces
Biological membranes enclose both the cell and intracellular organelles and are functionally critical for regulating transport. Membrane permeability is determined by the amphiphilic lipid bilayer that largely prevents the passive diffusion of hydrophilic and charged molecules. A host of biological processes, including membrane protein biogenesis, the binding of peripheral proteins, and cell internalization, depend directly on physicochemical interactions with the lipid bilayer. However, characterizing these interactions experimentally is challenging due to the range of relevant time- and length-scales involved, limiting our understanding of membrane-active biological and synthetic molecules.
In this talk, I will demonstrate how multiple simulation approaches with varying levels of detail can be used in concert to determine the interactions of biological and synthetic materials with lipid bilayers and predict experimental outcomes. I will first employ a combination of atomistic and coarse-grained simulations to elucidate the mechanism by which amphiphilic nanoparticles embed with cell membranes as a precursor to non-endocytic internalization, leading to design guidelines for new bioactive nanomaterials. I will then describe a highly coarse-grained simulation approach for predicting the effect of specific sequence features on the co-translational integration of nascent membrane proteins. Together, these studies illustrate the power of multiscale simulations, developed using a bottom-up approach to faithfully molecular system features, to understand and predict behavior at membrane interfaces.
All QBio sponsored talks take place on Wednesdays at 2:00 p.m. in the 3rd floor Orchard View room of the Discovery Building unless otherwise noted. Talks are open to the public. Access to the room is via the elevator behind Aldo’s Cafe in the Northeast corner of the building.