Research
Click \r\nHERE for details of recent work
\r\n\r\nMy laboratory aims to discover the structure, dynamic and electronic determinants of biological processes underlying physiological functions, through the development and application of methods in theoretical and computational biophysics. We seek a mechanistic understanding at the molecular level of detail, anchored in experimental information about structures and properties of cellular components and physiological mechanisms. Our approaches include theoretical determinations of molecular structure and properties, and computational simulations of molecular mechanisms and processes that can be studied with great accuracy.\r\n
\r\n\r\nThe theoretical studies are designed to complement experimentation in providing mechanistic insights about systems of ever increasing size and complexity, and to guide pointed experimental exploration of cellular processes and functions in numerous collaborative studies. The theoretical methods we use are continuously being refined and tested in the study of biomolecular systems. They are based on methods of quantum and statistical mechanics, and implemented in novel algorithms running on supercomputers and various computational graphics machines.\r\n\r\n\r\n
A unifying theme is the understanding of mechanisms triggered by molecular recognition and leading to signal transduction. We study structural specificity and dynamics in three main areas in which such processes determine physiological mechanisms:\r\n\r\n\r\n