AIMC Topic: Biocatalysis
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Tackling a textbook example of multistep enzyme catalysis with deep learning-driven design.
Molecular cell
Apr 3, 2025
Enzyme design has struggled to emulate the complexity and catalytic proficiency of natural enzymes. Lauko et al. show that with the help of deep learning, the design of serine hydrolases that rival nature's ingenuity is possible.
Data-driven enzyme engineering to identify function-enhancing enzymes.
Protein engineering, design & selection : PEDS
Jan 21, 2023
Identifying function-enhancing enzyme variants is a 'holy grail' challenge in protein science because it will allow researchers to expand the biocatalytic toolbox for late-stage functionalization of drug-like molecules, environmental degradation of p...
Accelerating the optimization of enzyme-catalyzed synthesis conditions machine learning and reactivity descriptors.
Organic & biomolecular chemistry
Jul 21, 2021
Enzyme-catalyzed synthesis reactions are of crucial importance for a wide range of applications. An accurate and rapid selection of optimal synthesis conditions is crucial and challenging for both human knowledge and computer predictions. In this wor...
A computational method for design of connected catalytic networks in proteins.
Protein science : a publication of the Protein Society
Dec 1, 2019
Computational design of new active sites has generally proceeded by geometrically defining interactions between the reaction transition state(s) and surrounding side-chain functional groups which maximize transition-state stabilization, and then sear...
[Preparation of baicalein using thermophilic and sugar-tolerant beta-glucosidase].
Zhongguo Zhong yao za zhi = Zhongguo zhongyao zazhi = China journal of Chinese materia medica
Dec 1, 2015
The reaction conditions of baicalin hydrolyzed into baicalein by a kind of thermophilic and sugar-tolerant beta-glucosidase were studied in this paper. The beta-glucosidase could catalyze baicalin into baicalein well in the acetic acid-sodium acetate...
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