Predicting Effects of Site-Directed Mutagenesis on Enzyme Kinetics by QM/MM and QM Calculations: A Case of Glutamate Carboxypeptidase II

Bím, D., Navrátil, M., Gutten, O., Konvalinka, J., Kutil, Z., Culka, M., Navrátil, V., Alexandrova, A. N., Bařinka, C., Rulíšek, L. Predicting Effects of Site-Directed Mutagenesis on Enzyme Kinetics by QM/MM and QM Calculations: A Case of Glutamate Carboxypeptidase II. Journal of Physical Chemistry B. 2022, 126(1), 132-143. ISSN 1520-6106. E-ISSN 1520-5207. Available: doi: 10.1021/acs.jpcb.1c09240.