Membrane proteins have evolved to function optimally while embedded within the heterogeneous and dynamically changing environment of biological membranes. As a matter of fact, the structure and dynamics, and thus the function of membrane proteins are largely affected by the membrane. Given their complex lipid composition, wide range of shape and charge variation, and diverse mechanical properties, biological membranes can modulate the function of membrane proteins through a number of molecular mechanisms. It is now well accepted that lipid-protein interactions are central to the modulation of fundamental cellular processes, including signaling and transport across the biological membranes. While the importance of lipid-protein interactions is widely recognized, characterization of lipid-protein interactions and the lipid-modulated protein dynamics is often challenging, if not impossible, with currently available experimental techniques. Application of molecular dynamics simulations opens up the possibilities for obtaining atomic-level details as well as the associated free energies of such interactions. In this talk, I will provide recent examples of computational studies in which the role of lipid bilayers and their constituents on a number of transport proteins has been successfully characterize at an atomic resolution. These studies, often complemented by experimental validation, offer invaluable insights on the functional mechanisms of physiologically important membrane proteins.

Multimodal control of membrane protein function by biological membranes

2019 Spring National Meeting

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