The Institute for Molecular Design is an educational and research center that focuses on bridging the theoretical and experimental approaches to biomolecular structure and function. This is an area of rapidly increasing importance in medicine and industry, in part because extraordinary advances in computing now make it possible to do accurate theoretical and experimental studies of enzymes, nucleic acids, and biomolecular assemblies.

     Founded in 1987, the IMD is the oldest U.S. center of its kind, equipped with state-of-the-art instruments for parallel supercomputing, computer graphics, X-ray crystallography, and NMR spectroscopy. Graduate students and postdoctoral associates enjoy unique opportunities for interdisciplinary research through collaborative research projects within the University of Houston and with the Texas Medical Center. In one project, new drugs are being designed by computer simulations based on X-ray structures of enzymes. Because of the broad importance of this work, the IMD is generously supported by government agencies, private foundations, and industry.

Facts:
 

•  The IMD has over two dozen faculty members from seven academic departments.

• The interests of IMD members include basic and applied research relevant to the fields of medicine, chemistry, biochemistry, physics, computer science, materials science and mathematics.

• The IMD collaborates with scientists at local institutions such as Rice University, Baylor College of Medicine, the M.D. Anderson Cancer Center, UTMB Galveston, and the W.M. Keck Center for Computational Biology.

• IMD scientists have access to most of the largest nonsecured supercomputing resources in the nation. The IMD owns and operates a state of the art graphics center with and SGI Onyx 3200, 20 high-end DEC Alpha and SGI UNIX workstations.  It provides its researchers currently available advanced molecular modeling and visualization software packages.

• The IMD trains future scientists in multidisciplinary approaches to problem solving in the design of new molecules.  Approximately 120 graduate students and post-doctoral fellows work directly with IMD faculty members.

• The IMD conducts basic research to develop new tools for computer-aided molecular design.

•  The IMD generates the resources to expand its work through grants, contracts and licensing agreements.

•  The IMD maintains and conducts educational programs in molecular design.

•  The IMD’s main divisions are: Structure Determination, Computational Biology, Computer Tools Development, and Materials Engineering.

• The IMD provides state-of-the-art experimental and computational resources to enable scientists to attain their research goals.

• The IMD offers expert consultation on project feasibility and assessment.

IMD Research Initiatives

Pharmaceutical

    The IMD develops genetic medication targeted against cancer, developmental diseases and viral and bacterial infections.  Its scientists contribute to the development of drugs used in the treatment of cancer, heart disease, hypertension, polio, AIDS, diabetes mellitus, Alzheimer’s disease, and leukemia.  Among the IMD’s current objectives are to characterize and evaluate certain naturally-occurring pharmaceutical agents and design substitutes.
 

Medicinal

The IMD’s scientists:

• Characterize and improve chemicals used in diagnostic reagent kits,

• Optimize potential drug molecules,
• Engineer structures and properties of solid state materials used in diagnostic instrumentation,
• Develop and characterize molecules used in surface coatings for body implants to decrease rejection rate.

Industrial applications of IMD work include:
 

• Protein and DNA engineering for biotechnology,
• Combined 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.

IMD Educational Mission

    The IMD is committed to the educational development of its scientists and students.  Recognizing that future generations of scientists will benefit from knowledge of its technologies, the IMD:
 

• Conducts student and scientist training sessions,
• Participates in University of Houston and inter-institutional educator training sessions,
• Develops teaching tools using active visualization, and
• Organizes research seminars.