Computational biochemist uncovers a molecular clue to evolution

The video shows the computer-generated enzymatic reaction pathway via the catalysis by the Thr residue. As shown in the movie, a proton relay occurs first to activate the water molecule and then the hydrolysis reaction occurs to complete the reaction cycle. This simulation was possible due to the development of a novel generalised ensemble based algorithm (c) Florida State University

Tags: antiparasitic, biochemistry, biological, enzyme, evolution, evolutionary, molecular