Computational Structural Biology and Molecular Biophysics Group

P-glycoprotein in the membraneThe Computational Structural Biology and Molecular Biophysics Group seeks to characterize the structural and dynamical properties of macromolecular systems that furnish their biological function. We employ molecular modeling and simulation technologies to investigate various biomolecular systems at an atomic resolution and to reveal molecular events and processes that are fundamental to their function. Given the unparalleled temporal and spatial resolutions offered by these technologies, the knowledge acquired by these studies is highly complementary to that derived from experimental approaches, thus, allowing one to develop a more complete picture of the mechanism of function of biomolecular systems. In short, we strive to understand how biomolecules work!

Our Group Leader is Emad Tajkorshid, J.W. Hastings Endowed Chair of Biochemistry and Director of NIH Center for Macromolecular Modeling and Bioinformatics.

Check out our website here to learn more!