Computational protein design methods for synthetic biology

Abstract

Computational protein design, a process that searches for mutants with desired improved properties, plays a central role in the conception of many synthetic biology devices including biosensors, bioproduction, or regulation circuits. To that end, a rational workflow for computational protein design is described here consisting of (a) searching in the sequence, structure or chemical spaces for the desired function and associated protein templates; (b) finding the list of potential hot regions to mutate in the parent proteins; and (c) performing in silico screening of mutants with predicted improved properties.