A New Paradigm for Biomolecular Simulations

Gao, Jiali; Truhlar, Donald G. (Chemistry)
National Institute of General Medical Sciences
$903,718
 
Description: It is difficult to make accurate quantitative predictions of biochemical processes due to the complexity and size of biomolecular systems in cells. Our research will focus on developing a novel computational approach that represents a paradigm change in the way intermolecular interactions are described to understand biological properties and function. The research is expected to significantly increase the accuracy of computational results. This, in turn, may help to design inhibitors and engineer specialized proteins for biomedical and industrial applications.

A total of 15 University of Minnesota research projects have been awarded more than $10.3 million in funding from the prestigious "Challenge" and "Grand Opportunities" grant programs offered by the National Institutes of Health (NIH) through funds authorized under the American Recovery and Reinvestment Act (ARRA).

The "Challenge Grants in Health and Science Research" is a new NIH initiative that supports research on specific knowledge gaps, scientific opportunities, new technologies, data generation, or research methods that would benefit from an influx of funds to quickly advance the area in significant ways. Research funded by a Challenge grant is intended to have a high impact in biomedical or behavioral science and/or public health. The grants generated a great deal of interest and were highly competitive: the NIH received more than 20,000 proposals and awarded only 840 grants nationally.

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