Scientists Develop Super-Computer Model For Biofuel Manufacture

A team of UC San Diego scientists has now conducted molecular simulations of the production of biofuel from cellulosic biomass at the San Diego Supercomputer Center (SDSC). By using “virtual molecules,” they have discovered key steps in the intricate dance in which the enzyme acts as a molecular machine - attaching to bundles of cellulose, pulling up a single strand of sugar, and putting it onto a molecular conveyor belt where it is chopped into smaller sugar pieces.

The researchers reported their results in the April 12 online edition of the Protein Engineering, Design and Selection journal, which also featured visualizations of the results on the cover.

“By learning how the cellulase enzyme complex breaks down cellulose we can develop protein engineering strategies to speed up this key reaction. This is important in making ethanol from plant biomass a realistic ‘carbon neutral’ alternative to the fossil petroleum used today for transportation fuels.” - Mike Cleary, SDSC coordinator

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