The crucial role of methodology development in directed evolution of selective enzymes

G Qu, A Li, CG Acevedo‐Rocha, Z Sun… - Angewandte Chemie …, 2020 - Wiley Online Library
Directed evolution of stereo‐, regio‐, and chemoselective enzymes constitutes a unique way
to generate biocatalysts for synthetically interesting transformations in organic chemistry and …

Utility of B-factors in protein science: interpreting rigidity, flexibility, and internal motion and engineering thermostability

Z Sun, Q Liu, G Qu, Y Feng, MT Reetz - Chemical reviews, 2019 - ACS Publications
The term B-factor, sometimes called the Debye–Waller factor, temperature factor, or atomic
displacement parameter, is used in protein crystallography to describe the attenuation of X …

Enantioselective desymmetrization reactions in asymmetric catalysis

C Nájera, F Foubelo, JM Sansano, M Yus - Tetrahedron, 2022 - Elsevier
This review covers the recent developments (since 2015) of enantioselective
desymmetrization reactions using metal-catalyzed, organocatalyzed and enzymatic …

Can machine learning revolutionize directed evolution of selective enzymes?

G Li, Y Dong, MT Reetz - Advanced Synthesis & Catalysis, 2019 - Wiley Online Library
Abstract Machine learning as a form of artificial intelligence consists of algorithms and
statistical models for improving computer performance for different tasks. Training data are …

A machine learning approach for reliable prediction of amino acid interactions and its application in the directed evolution of enantioselective enzymes

F Cadet, N Fontaine, G Li, J Sanchis… - Scientific reports, 2018 - nature.com
Directed evolution is an important research activity in synthetic biology and biotechnology.
Numerous reports describe the application of tedious mutation/screening cycles for the …

Development of an engineered ketoreductase with simultaneously improved thermostability and activity for making a bulky atorvastatin precursor

XM Gong, Z Qin, FL Li, BB Zeng, GW Zheng… - ACS Catalysis, 2018 - ACS Publications
Protein engineering is a powerful strategy for enhancing the properties of enzymes for
industrial applications. However, thermostabilizing an enzyme via this strategy while …

Light‐driven kinetic resolution of α‐functionalized carboxylic acids enabled by an engineered fatty acid photodecarboxylase

J Xu, Y Hu, J Fan, M Arkin, D Li, Y Peng… - Angewandte Chemie …, 2019 - Wiley Online Library
Chiral α‐functionalized carboxylic acids are valuable precursors for a variety of medicines
and natural products. Herein, we described an engineered fatty acid photodecarboxylase …

Modeling enzymatic enantioselectivity using quantum chemical methodology

X Sheng, M Kazemi, F Planas, F Himo - ACS Catalysis, 2020 - ACS Publications
The computational study of enantioselective reactions is a challenging task that requires
high accuracy, as very small energy differences have to be reproduced. Quantum chemical …

In Vivo Selection for Formate Dehydrogenases with High Efficiency and Specificity toward NADP+

L Calzadiaz-Ramirez, C Calvó-Tusell, GMM Stoffel… - ACS …, 2020 - ACS Publications
The efficient regeneration of cofactors is vital for the establishment of biocatalytic processes.
Formate is an ideal electron donor for cofactor regeneration due to its general availability …

Learning from Protein Engineering by Deconvolution of Multi‐Mutational Variants

F Hollmann, J Sanchis, MT Reetz - … Chemie International Edition, 2024 - Wiley Online Library
This review analyzes a development in biochemistry, enzymology and biotechnology that
originally came as a surprise. Following the establishment of directed evolution of …