February 20, 2026 - Seminar - Tools for Enzyme Design – Extracting Useful Information from Electron Charge Density

Published: Feb. 16, 2026
Amanda

Amanda Morgenstern, Ph.D.

Abstract

Natural enzymes speed up biochemical reactions from weeks or even years to seconds. On the other hand, artificially designed enzymes are generally far less efficient. It has been suggested that efficiency could be improved through incorporation of the specific electric field that a full protein creates in its active site. My research group focuses on developing tools  based  on  the  Quantum  Theory  of  Atoms  in  Molecules  (QTAIM)  to  extract  such information from the electron charge density to better understand catalysis and improve enzyme  design.  Here,  I  will  introduce  our  QTAIM  methods  using  kemp  eliminase, ketosteroid isomerase, and murine epoxide hydrolase as examples of designed enzymes.

When: February 20, 2026

Where: North Classroom

Time: 11:00 am - 12:00pm