The crucial role of methodology development in directed evolution of selective enzymes
Directed evolution of stereo‐, regio‐, and chemoselective enzymes constitutes a unique way
to generate biocatalysts for synthetically interesting transformations in organic chemistry and …
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 …
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 …
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 …
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
Directed evolution is an important research activity in synthetic biology and biotechnology.
Numerous reports describe the application of tedious mutation/screening cycles for the …
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 …
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 …
and natural products. Herein, we described an engineered fatty acid photodecarboxylase …
Modeling enzymatic enantioselectivity using quantum chemical methodology
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 …
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 …
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 …
originally came as a surprise. Following the establishment of directed evolution of …