Speaker:
Title:
Merging Biocatalysis and Synthetic Chemistry with Computer-aided Synthesis Planning
Abstract:
Combining enzymatic and conventional organic chemistry is a promising strategy for the synthesis of valuable organic molecules as it leverages the environmental benefits and selectivity of enzyme catalysis without sacrificing the diversity of organic chemical transformations. Current computer-aided synthesis planning tools are not able to identify hybrid chemo-enzymatic synthesis plans. In this project we present a computational approach to automatically generate synthesis plans with both enzymatic and organic steps to molecules of interest.