Biofuels are a well-known carbon neutral alternative to fossil fuels. Cellulose is an important molecular building block of many plants but is resistant to easy conversion to biofuels. Development of an effective method of converting cellulose into usable fuel would make biofuel production significantly more efficient and cost competitive with fossil fuels. Our group recently reported that the very stable cellulosomal complex exhibits one of the most mechanically robust protein-protein interactions reported thus far, pointing towards new mechanically stable artificial multi-component biocatalysts for industrial applications, including production of second generation biofuels. Adopting the strategy which some bacteria are employing and use several enzymes synergistically in large enzymatic complexes, namely cellulosomes, offers a promising approach to reduce biofuel production cost. This project supports use of molecular dynamics tools to investigate the cellulosomes at the molecular level. The outcomes of this project will be an important step towards developing effective methods of cellulose breakdown and is a step along the path towards low cost biofuels.