We are interested in aspects of the molecular recognition problem in aqueous solution. Intermolecular recognition relates to ligand design whereas intramolecular recognition is manifested in the conformational order to disorder transitions of biomolecules. We are studying the coupling of phase equilibria and structure to disorder in proteins and nucleic acids. Some ongoing projects are:
(1) Development of methods for calculating and interpreting conformational structure and phase equilibria in aqueous solution.
(2) Stability and thermodynamics of DNA/RNA structures in solution and confined by surfaces.
(3) Structural and thermodynamic description of molecular fluids, including water, ions, polar biomolecular solutes and other condensed phase systems via integral equation and density functional methods.
(4) Development of simulation methodology.
Professor in the Departments of Pharmacology and Toxicology and Biochemistry and Molecular Biology, University of Texas Medical Branch
Robert A. Welch Distinguished Chair in Chemistry in Pharmacology and Toxicology, University of Texas Medical Branch
Director of the Sealy Center for Structural Biology and Molecular Biophysics, University of Texas Medical Branch