COMPUTATIONAL ENZYME DESIGN AND METHODS TO PREDICT THE ROLE OF REMOTE MUTATIONS

摘要

My view of the present state of research on exploring enzyme families and enzyme catalysis The computational design of functional proteins will boost the practical applications of biocatalysis. For nearly ten years, my group has been involved in the development of methods for the computational design of new enzymes. With David Baker, Stephen Mayo, Donald Hilvert, and others we have applied quantum mechanics, molecular dynamics, and combined bioinformatics/force-field approaches like Rosetta to predict protein sequences that will fold into functional enzymes.