in the areas of chemistry, biology, physics, medicine, and engineering. He was recently awarded the “Alfredo di Braccio” Prize for Chemistry from the Accademia Nazionale dei Lincei (Italy) and the Postdoctoral Research Award from the American Chemical Society (U.S.). His current research integrates computational approaches with experiments through collaborations with world leading groups in enzymology and drug discovery.

Angel E. García, Ph.D., is the Senior Constellation Professor of Biocomputation and Bioinformatics at Rensselaer Polytechnic University. His research focuses on the use of theoretical and computational methods to study biomolecular dynamics and statistical mechanics, with the objectives of understanding the folding, dynamics and stability of biomolecules. Particular interests include the hydrophobic effect, enzyme catalysis, nucleic acid structure and dynamics, RNA folding, electrostatics, protein hydration, and peptide interactions with membranes. Before joining Rensselaer he was Group Leader at the Theoretical Biology and Biophysics Group at Los Alamos National Laboratory. Dr. García is a Fellow of the American Physical Society. He received the Edward Bouchet Award from the American Physical Society in 2006. Dr. García is the Associate Editor of Proteins, Structure, Function and Bioinformatics and belongs to the editorial board of Biophysical Journal and Molecular Simulations. He is a member of the American Physical Society, Biophysical Society, American Chemical Society, Protein Society and the American Association for the Advancement of Science.

Toshiko Ichiye, Ph.D., is Professor and William G. McGowan Chair in Chemistry at Georgetown University. She is a leader in the field of molecular dynamics simulations, an area of computational chemistry that enables pharmaceutical companies, biotechnology firms, and bioengineering firms to design and perfect their products. Dr. Ichiye’s research interests include theoretical biophysical and physical chemistry, structure and function of proteins, statistical mechanics of macromolecules and liquids, and molecular dynamics simulations of biological macromolecules. She received her B.A. in Physics from Rice University in 1978 and her Ph.D. in Biophysics in 1985 from Harvard University.

Terry P. Lybrand, Ph.D., is a Professor in the Department of Chemistry at Vanderbilt University. Dr. Lybrand’s research focuses on molecular modeling and bioinformatics techniques. His laboratory utilizes computational methods to study the properties and behavior of biomacromolecules and ligand-biomacromolecule complexes, and to aid in the design of small molecule ligands with desired binding properties for targeted receptors. Techniques used include quantum mechanical calculations, molecular dynamics and Monte Carlo simulation, and free energy perturbation methods. Dr. Lybrand received his Ph.D. in Pharmaceutical Chemistry from the University of California, San Francisco in 1984.

Glenn J Martyna, Ph.D., is a research scientist at IBM’s T.J. Watson Research Lab in Yorktown Heights, NY. Dr. Martyna received his Ph.D. in chemical sciences from Columbia University in 1989 and was an NSF postdoctoral fellow in computational science and engineering at the University of Pennsylvania. Dr. Martyna was appointed to the faculty of Indiana University, Bloomington, in 1993 and was awarded tenure in 2000. In 2001, he joined IBM’s TJ Watson Research Lab in Yorktown Heights, NY. Dr. Martyna was awarded an honorary Professorship of Physics at the University of Edinburgh, UK in 2008. His research focuses on the use of novel methodology, parallel algorithms, and computer simulation to probe biophysical, materials and chemical systems including studies of aqueous solutions, complex heterogeneous interfaces, phase change materials, and nanomaterials.

David L. Mobley, Ph.D., is an Assistant Professor in the Department of Pharmaceutical Sciences at the University of California, Irvine. His research focuses on applying computational and theoretical methods to understand and quantitatively predict fundamental biological processes



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