Machine learning-guided protein engineering
Recent progress in engineering highly promising biocatalysts has increasingly involved
machine learning methods. These methods leverage existing experimental and simulation …
machine learning methods. These methods leverage existing experimental and simulation …
Engineered enzymes for the synthesis of pharmaceuticals and other high-value products
MT Reetz, G Qu, Z Sun - Nature Synthesis, 2024 - nature.com
Catalysis has a central role in organic synthetic methodology, especially in stereoselective
reactions. In many reactions, enantioselectivity is made possible through the use of chiral …
reactions. In many reactions, enantioselectivity is made possible through the use of chiral …
Engineered cytochrome P450 for direct arylalkene-to-ketone oxidation via highly reactive carbocation intermediates
Ketones are crucial intermediates in synthesis and frequent moieties in many products. The
direct regioselective synthesis of ketones from internal alkenes could simplify synthetic …
direct regioselective synthesis of ketones from internal alkenes could simplify synthetic …
Opportunities and challenges for machine learning-assisted enzyme engineering
Enzymes can be engineered at the level of their amino acid sequences to optimize key
properties such as expression, stability, substrate range, and catalytic efficiency─ or even to …
properties such as expression, stability, substrate range, and catalytic efficiency─ or even to …
Flexibility regulation of loops surrounding the tunnel entrance in cytochrome P450 enhanced substrate access substantially
In recent years, the engineering of flexible loops to improve enzyme properties has gained
attention in biocatalysis. Herein, we report a loop engineering strategy to improve the …
attention in biocatalysis. Herein, we report a loop engineering strategy to improve the …
NMR-guided directed evolution
S Bhattacharya, EG Margheritis, K Takahashi… - Nature, 2022 - nature.com
Directed evolution is a powerful tool for improving existing properties and imparting
completely new functionalities to proteins,,–. Nonetheless, its potential in even small …
completely new functionalities to proteins,,–. Nonetheless, its potential in even small …
Accurate prediction of enzyme thermostabilization with Rosetta using AlphaFold ensembles
F Peccati, S Alunno-Rufini… - Journal of chemical …, 2023 - ACS Publications
Thermostability enhancement is a fundamental aspect of protein engineering as a
biocatalyst's half-life is key for its industrial and biotechnological application, particularly at …
biocatalyst's half-life is key for its industrial and biotechnological application, particularly at …
A chemoenzymatic strategy for the synthesis of steroid drugs enabled by P450 monooxygenase-mediated steroidal core modification
Y Peng, C Gao, Z Zhang, S Wu, J Zhao, A Li - Acs Catalysis, 2022 - ACS Publications
The synthesis of steroid drugs by multistage modifications of the steroidal core is
challenging since site-specific and selective modification is essentially required, which is …
challenging since site-specific and selective modification is essentially required, which is …
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 …
Using Computational Chemistry to Reveal Nature's Blueprints for Single-Site Catalysis of C–H Activation
The challenge of activating inert C–H bonds motivates a study of catalysts that draws from
what can be accomplished by natural enzymes and translates these advantageous features …
what can be accomplished by natural enzymes and translates these advantageous features …