AIMC Topic: Biocatalysis

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Accelerating the optimization of enzyme-catalyzed synthesis conditions machine learning and reactivity descriptors.

Organic & biomolecular chemistry
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
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
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...