Institute for Molecular Design Overview The Institute for Molecular Design (IMD) is a research and educational center dedicated to bridging the theoretical and experimental approaches to biomolecular structure and function. Through the implementation of cutting-edge computational technology for pharmaceutical, medicinal and industrial purposes, the institute develops genetic medication targeted against cancer, developmental diseases and viral and bacterial infections. Results from experimental studies of enzymes, nucleic acids, and bimolecular assemblies are used to target such illnesses as cancer, heart disease, polio, AIDS, diabetes and leukemia. Results may also be used to decrease the rejection rate for body implants, as well as to develop biosensors for oil spill identification and to design new materials for use in micro-electronic devices. Background Founded in 1987 by Professors B. Montgomery Pettit and A. McCarmen, the institute was originally conceived as a research initiative designed to consider biology from a structural, rather than comparative, focal point. Beginning with an entity’s atomic structure and working ‘upwards’ the IMD’s goal is to understand biology not from an empirical, taxonomic point of view, but from a reductionist point of view. When taken to the ultimate embodiment, this study of functional biology begins with an understanding of atomic physics and is then built upon through the collection of nuclei and electrons, and the study of how they fit together based upon the laws of physics and chemistry. Research The Institute’s research and its’ subsequent benefits can be divided into three categories: pharmaceutical, medicinal, and industrial. In its pharmaceutical research, the IMD develops genetic medication used in the treatment of cancer, heart disease, hypertension, polio, AIDS, diabetes mellitus, Alzheimer’s disease, and leukemia. Additionally, one of the institute’s many current objectives is to characterize and evaluate certain naturally-occurring pharmaceutical agents and to design substitutes. The institute’s medicinal research involves scientists who characterize and improve chemicals used in diagnostic reagent kits, as well as optimize potential drug molecules, and engineer structures and properties of solid state materials used in diagnostic instrumentation. They also develop and characterize molecules used in surface coatings for body implants in order to decrease rejection rates. On the industrial front, the applications of IMD’s work include: protein and DNA engineering for biotechnology; combining material science and biochemical hybrid technologies; developing biosensors for use in oil spill identification; designing new materials for use in micro-electronic devices; and designing agrichemicals to improve crop yields. People There are a number of people involved with the IMD, each one utilizing their specializations to add to the overall functionality of the institute. The following list includes just a few: Dr. B. Montgomery Pettitt, Director - A Cullen Distinguished Professor of Chemistry and professor of Physics, Computer Science, Biology and Biochemistry at the University of Houston. Dr. Pettitt holds a Ph.D. from the University of Houston in physical chemistry, and completed postdoctoral fellowships at the University of Texas at Austin and Harvard University. One of his research interests include the study of the structural and thermodynamic description of neat polar molecular fluids, including water, ions, polar biomolecular solutes and other condensed phase systems, through integral equation and density functional methods. Dr. Kurt Krause, Associate Director - Dr. Krause holds a Ph.D. in biochemistry from Harvard and a M.D. from Baylor. His research interests are in the area of infectious diseases, specifically the structure and function of enzymes and proteins important in antibiotic action and resistance. His X-ray crystallography work is also applied to structure-aided drug design. Facts · IMD scientists have access to some of the largest non-secured supercomputing resources in the nation. IMD owns and operates a state of the art graphics center with a 4 processor SGI Onyx 3200, 1 3 processor DEC Appha Server, and several SGI workstations; some of theses are distributed to individual research laboratories. Additionally, the institute recently added an area detector and cryo-cooling unit to its X-ray Crystallographyfacility and acquired an 800 MHz Nuclear Magnetic Resonance machine. · Researchers at the IMD collaborate with scientists at such local institutions as Rice University, Baylor College of Medicine, the M.D. Anderson Cancer Center, UTMB Galveston, and the W.M. Keck Center for Computational Biology. · The IMD has over two dozen faculty members from seven academic departments. · Training future scientists in multidisciplinary approaches to problem solving in the design of new molecules, over 120 graduate students and post-doctoral fellows work directly with IMD faculty members. Summary Overall the IMD is a very interdisciplinary center, combining people and techniques from physics, chemistry, and biology with people and techniques from the math and computational sciences. Together they work to better understand how molecules are structured and thus how to develop drugs that will improve our health, vitality, and overall quality of life. The application of their work extends beyond the medicinal realm to areas that include, but are not limited to, agrichemicals, catalysis, and material sciences. The IMD is also committed to education and sponsors training sessions for both students and researchers, seminars, and actively participates in inter-departmental and inter-institutional academic programs.