Simulations of Cellulosomal Subunits: Components of a Molecular Machinery for Depolymerization of Feedstock for Production of Second Generation Biofuels

Isaac Cann, University of Illinois at Urbana-Champaign

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The impact of fossil fuel, a non-renewable energy source, on greenhouse gas production has increased interest in alternative energy sources, such as biofuels. Among biofuels, ethanol has received the most attention. Ethanol production from corn, however, raises criticisms such as competition for a food source. An alternative to current ethanol production is fermentation of plant fiber composed mainly of the polysaccharides cellulose/hemicellulose. In nature, different microorganisms harness multi-enzyme complexes to depolymerize plant cell wall polysaccharides. In this project, we are employing molecular dynamics simulations to guide biochemical experiments aimed at investigating the mechanism by which bacteria degrade plant fiber for subsequent fermentation to cellulosic ethanol.