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Hydrolases

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Exploration of the intelligent-auxiliary design of architectural space using artificial intelligence model.

PloS one
In order to carry out a comprehensive design description of the specific architectural model of AI, the auxiliary model of AI and architectural spatial intelligence is deeply integrated, and flexible design is carried out according to the actual situ...

Prediction and Construction of Energetic Materials Based on Machine Learning Methods.

Molecules (Basel, Switzerland)
Energetic materials (EMs) are the core materials of weapons and equipment. Achieving precise molecular design and efficient green synthesis of EMs has long been one of the primary concerns of researchers around the world. Traditionally, advanced mate...

Nucleoside Triphosphate Hydrolases Assay in Toxoplasm gondii and Neospora caninum for High-Throughput Screening using a Robot Arm.

Journal of visualized experiments : JoVE
Protozoan parasites infect humans and many warm-blooded animals. Toxoplasma gondii, a major protozoan parasite, is commonly found in HIV-positive patients, organ transplant recipients and pregnant women, resulting in the severe health condition, Toxo...

Machine learning-aided engineering of hydrolases for PET depolymerization.

Nature
Plastic waste poses an ecological challenge and enzymatic degradation offers one, potentially green and scalable, route for polyesters waste recycling. Poly(ethylene terephthalate) (PET) accounts for 12% of global solid waste, and a circular carbon e...

Bridging the gap between GRACE and GRACE-FO missions with deep learning aided water storage simulations.

The Science of the total environment
The monthly high-resolution terrestrial water storage anomalies (TWSA) during the 11-months of gap between GRACE (Gravity Recovery And Climate Experiment) and its successor GRACE-FO (-Follow On) missions are missing. The continuity of the GRACE-like ...

Enhancement of protein thermostability by three consecutive mutations using loop-walking method and machine learning.

Scientific reports
We developed a method to improve protein thermostability, "loop-walking method". Three consecutive positions in 12 loops of Burkholderia cepacia lipase were subjected to random mutagenesis to make 12 libraries. Screening allowed us to identify L7 as ...

Ultrasound-assisted d-tartaric acid whole-cell bioconversion by recombinant Escherichia coli.

Ultrasonics sonochemistry
d-Tartaric acid has wide range of application in the pharmaceutical industry and scarcely exists in nature. In this study, cis-epoxysuccinate hydrolase (CESH)-containing Escherichia coli was used to perform whole-cell bioconversion of cis-epoxysuccin...

Biochemical, machine learning and molecular approaches for the differential diagnosis of Mucopolysaccharidoses.

Molecular and cellular biochemistry
This study was aimed to construct classification and regression tree (CART) model of glycosaminoglycans (GAGs) for the differential diagnosis of Mucopolysaccharidoses (MPS). Two-dimensional electrophoresis and liquid chromatography-tandem mass spectr...

Multiclassification Prediction of Enzymatic Reactions for Oxidoreductases and Hydrolases Using Reaction Fingerprints and Machine Learning Methods.

Journal of chemical information and modeling
Drug metabolism is a complex procedure in the human body, including a series of enzymatically catalyzed reactions. However, it is costly and time consuming to investigate drug metabolism experimentally; computational methods are hence developed to pr...

Medium Optimization for Recombinant Soluble Arginine Deiminase Expression in Escherichia coli Using Response Surface Methodology.

Current pharmaceutical biotechnology
OBJECTIVE: Optimization of the medium for recombinant arginine deiminase production in E. coli was performed using response surface methodology. This is the first study of optimization of recombinant arginine deiminase production in E. coli by the us...