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Enzymes

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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...

DeepEnzyme: a robust deep learning model for improved enzyme turnover number prediction by utilizing features of protein 3D-structures.

Briefings in bioinformatics
Turnover numbers (kcat), which indicate an enzyme's catalytic efficiency, have a wide range of applications in fields including protein engineering and synthetic biology. Experimentally measuring the enzymes' kcat is always time-consuming. Recently, ...

MPEK: a multitask deep learning framework based on pretrained language models for enzymatic reaction kinetic parameters prediction.

Briefings in bioinformatics
Enzymatic reaction kinetics are central in analyzing enzymatic reaction mechanisms and target-enzyme optimization, and thus in biomanufacturing and other industries. The enzyme turnover number (kcat) and Michaelis constant (Km), key kinetic parameter...

[Progress in the application of artificial intelligence-assisted molecular modification of enzymes].

Sheng wu gong cheng xue bao = Chinese journal of biotechnology
Natural enzymes are often difficult to meet the needs of application and research in terms of activity, enantiomer selectivity or thermal stability. Therefore, it is an important task of enzyme engineering to explore efficient molecular modification ...

ifDEEPre: large protein language-based deep learning enables interpretable and fast predictions of enzyme commission numbers.

Briefings in bioinformatics
Accurate understanding of the biological functions of enzymes is vital for various tasks in both pathologies and industrial biotechnology. However, the existing methods are usually not fast enough and lack explanations on the prediction results, whic...