Insights on the Origin of Catalysis on Glycine N-Methyltransferase from Computational Modeling

Insights on the Origin of Catalysis on Glycine N-Methyltransferase from Computational Modeling. J Am Chem Soc. 2018 Mar 28;140(12):4327-4334. doi: 10.1021/jacs.7b13655.
QM/MM computational studies in WT GNMT and several mutants reveal that electrostatic properties in the active site and plasticity of the protein are the origin of catalysis rather than compression effects.