// pellock lab //

Modeling enzyme catalysis

Enzymes for sustainability

We build enzymes to address issues of sustainability

Enzyme design has largely focused on designing and assessing individual, static structures. We aim to leverage advances in biomolecular modeling to address the multi-state and motive nature inherent to many enzymes to design for multistep reaction mechanisms, improve functional prediction, and ultimately access functions not tractable or effective with static models.

An amazing diversity of chemistry is catalyzed by natural enzymes, yet chemists manage to synthesize myriad molecules not seen in nature. To bridge this divide, we use chemical principles and computational protein design to build enzymes with new active sites that sample many catalytic geometries to discover the molecular machineries for new chemistries.

Enzymes hold immense promise as highly efficient and environmentally friendly catalysts for the synthesis and breakdown of modern materials. We aim to design novel enzymes that provide new approaches for the sustainable synthesis and processing of modern and emerging materials.