CAREER: Use of Atomic-Level Models to Study Lipid Bilayer Membranes and to Enhance Undergraduate Teaching

Wabash College, Crawfordsville IN

Investigators

Abstract

FELLER 0091508 Biological membranes are inherently heterogeneous and disordered in the physiologically relevant liquid-crystalline phase, thus atomic-level structural data is difficult to obtain experimentally. In this project, molecular dynamics simulations will be carried out on membranes containing a variety of phospholipids, as well as small solutes, nonionic surfactants, and peptides. These simulations will complement the existing body of experimental data from NMR. Specifically, many of the analyses will extract bilayer properties that aid in the interpretation of experimental data on lipid and lipid-solute interactions, and on complex membranes incorporating lipids with detergents, small solutes, membrane-bound peptides, and trans-membrane proteins. This research will extensively involve undergraduate students as co-workers. In addition to testing simulation methods, carrying out simulations, and analyzing/interpreting simulation results, students will present their results to the campus community and national and regional scientific meetings. These presentations will prepare them for careers as scientific researchers and will demonstrate exciting opportunities available to prospective science majors. Additional enhancement of undergraduate education will come through the development of molecular modeling exercises that can be utilized throughout the chemistry curriculum, and the use of "p-chem portfolios". This career development plan includes an integrated program of research and teaching centered around the use of molecular dynamics computer simulation to probe the structure and dynamics of lipid bilayer membranes. This research program will have significant impact on undergraduate instruction through the transfer of molecular modeling techniques from the research laboratory to the chemistry curriculum at Wabash College, as well as via the research internships that will be available to numerous students during the academic year and summer.