AIMC Topic: Enzymes

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A multimodal deep learning framework for enzyme turnover prediction with missing modality.

Computers in biology and medicine
Accurate prediction of the turnover number (k), which quantifies the maximum rate of substrate conversion at an enzyme's active site, is essential for assessing catalytic efficiency and understanding biochemical reaction mechanisms. Traditional wet-l...

DeepMBEnzy: An AI-Driven Database of Mycotoxin Biotransformation Enzymes.

Journal of agricultural and food chemistry
Mycotoxins are toxic fungal metabolites that pose significant health risks. Enzyme biotransformation is a promising option for detoxifying mycotoxins and for elucidating their intracellular metabolism. However, few mycotoxin-biotransformation enzymes...

Tackling a textbook example of multistep enzyme catalysis with deep learning-driven design.

Molecular cell
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.

[Intelligent mining, engineering, and design of proteins].

Sheng wu gong cheng xue bao = Chinese journal of biotechnology
Natural components serve the survival instincts of cells that are obtained through long-term evolution, while they often fail to meet the demands of engineered cells for efficiently performing biological functions in special industrial environments. ...

DEKP: a deep learning model for enzyme kinetic parameter prediction based on pretrained models and graph neural networks.

Briefings in bioinformatics
The prediction of enzyme kinetic parameters is crucial for screening enzymes with high catalytic efficiency and desired characteristics to catalyze natural or non-natural reactions. Data-driven machine learning models have been explored to reduce exp...

Seq2Topt: a sequence-based deep learning predictor of enzyme optimal temperature.

Briefings in bioinformatics
An accurate deep learning predictor is needed for enzyme optimal temperature (${T}_{opt}$), which quantitatively describes how temperature affects the enzyme catalytic activity. In comparison with existing models, a new model developed in this study,...

DeepES: deep learning-based enzyme screening to identify orphan enzyme genes.

Bioinformatics (Oxford, England)
MOTIVATION: Progress in sequencing technology has led to determination of large numbers of protein sequences, and large enzyme databases are now available. Although many computational tools for enzyme annotation were developed, sequence information i...

LICEDB: light industrial core enzyme database for industrial applications and AI enzyme design.

Database : the journal of biological databases and curation
Enzymes, serving as eco-friendly catalysts, are progressively supplanting traditional chemical catalysts in light industry sectors such as feed, papermaking, textiles, detergents, leather, and sugar production. Despite this advancement, the variabili...

SCREEN: A Graph-based Contrastive Learning Tool to Infer Catalytic Residues and Assess Enzyme Mutations.

Genomics, proteomics & bioinformatics
The accurate identification of catalytic residues contributes to our understanding of enzyme functions in biological processes and pathways. The increasing number of protein sequences necessitates computational tools for the automated prediction of c...

[AcidBasePred: a protein acid-base tolerance prediction platform based on deep learning].

Sheng wu gong cheng xue bao = Chinese journal of biotechnology
The structures and activities of enzymes are influenced by pH of the environment. Understanding and distinguishing the adaptation mechanisms of enzymes to extreme pH values is of great significance for elucidating the molecular mechanisms and promoti...