Research Abstracts Online
2008 - March 2009
University of Minnesota Twin Cities
College of Biological Sciences
PI: Daniel R. Bond
In Silico Protein Improvement
These researchers have developed an enzyme-functionalized nicotinamide adenine dinucleotide (NADH) electrode that oxidizes NADH and generates electricity. The enzyme’s structure, reported in the literature, provides the opportunity to simulate the protein. The researchers used the program YASARA, which provides easy force field parameterization, to run simulations in water. Using these simulations, the effect of mutations on the enyzme electrode interaction can be predicted and promissing mutants can be identified. An important aspect of the project is the experimental verification of selected mutations, which will allow the refinement of the prediction algorithm. This work will be helpful in developing highly efficient biofuel cells capable of using renewable fuels, as well as designing sustainable biosynthetic reactors.
Stefan Harjes, Research Associate