Evolutionary Optimization of Computationally Designed Enzymes: Kemp Eliminases of the KE07 Series
https://www.sciencedirect.com/science/article/pii/S0022283609015381?via%3Dihub

The evolution of multiple active site configurations in a designed enzyme
https://www.nature.com/articles/s41467-018-06305-y

• Important experimental protocol reference (background reaction; Arrhenius kinetics)

Screening and characterization of a diverse panel of metagenomic imine reductases for biocatalytic reductive amination
https://www.nature.com/articles/s41557-020-00606-w

本文为初次使用TAO运行ONIOM计算的杂记

A toolkit to assist ONIOM calculations
https://doi.org/10.1002/jcc.21524
http://chem.wayne.edu/schlegel/Software/oniomtoolTAO/TAOtutorial.html

Misc about experimental thermodynamic data of enzyme interactions