Approach

Qzyme benchwork is a radical in silico enzyme engineering approach. The transitions states of enzymatic reactions are scanned across the E-S reaction system using a high resolution grid. Quantum mechanics simulations are used to identify functional hotspots. QM/MM simulations are used to screen thousands of enzyme mutations to derive a focused library with improved kinetic properties. It reveals atomic-level know how of the mechanism of the working enzyme for further development.