Multistate Enzyme Design Enables Efficient and Stereoselective Multistep Catalysis
Enzymes catalyze multistep reactions by stabilizing successive transition states within well organized, yet dynamic active sites. However, computational enzyme design typically targets a single transition state using rigid active-site models. Here, we introduce multistate enzyme design, which uses conformational ensembles to optimize active sites across an entire reaction coordinate. Applied to a…
We haven't written up this one. bioRxiv has the full story — the link below goes straight to it.
