Advances in structural biology and molecular biophysics over the last two decades have revolutionized our understanding of structure-function relationship of macromolecules. There are virtually no areas of biological and biomedical sciences that are unaffected by such advances, and molecular-level understanding of the phenomena involved in the function of biological systems has become a must in modern biological studies. Our group seeks to characterize 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. We strive to understand how biomolecules work!