EBI Personnel Directory Klaus, Schulten

Biomass Depolymerization

Klaus Schulten

schulten@illinois.edu

 

 

Project(s)

Molecular Dynamics Studies of Biomass Degradation in Biofuel Production

We are developing a joint computational and experimental approach where we will take advantage of molecular modeling and dynamics tools, together with some of the fastest supercomputers available, to tackle two major problems of the second-generation biofuel industry, namely: the product inhibition and the effects of pretreatment with EBI developed polymers on hydrolysis of cellulose fibers by glycoside hydrolases. In the first, in collaboration with Dr. Doug Clark's group, we plan to address the problem of product inhibition of glycoside hydrolases, by studying mutants identified by the experimental group. In the second, in collaboration with Dr. Matt Francis's group, we will model the effects of a synthetic polymer on the cellulose fiber and also the interaction of this polymer with enzymes of the glycoside hydrolase family.