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Protein Engineering

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Protein multi-level structure feature-integrated deep learning method for mutational effect prediction.

Biotechnology journal
Through iterative rounds of mutation and selection, proteins can be engineered to enhance their desired biological functions. Nevertheless, identifying optimal mutation sites for directed evolution remains challenging due to the vastness of the prote...

AI-based IsAb2.0 for antibody design.

Briefings in bioinformatics
Therapeutic antibody design has garnered widespread attention, highlighting its interdisciplinary importance. Advancements in technology emphasize the critical role of designing nanobodies and humanized antibodies in antibody engineering. However, cu...

Machine learning-assisted substrate binding pocket engineering based on structural information.

Briefings in bioinformatics
Engineering enzyme-substrate binding pockets is the most efficient approach for modifying catalytic activity, but is limited if the substrate binding sites are indistinct. Here, we developed a 3D convolutional neural network for predicting protein-li...

[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 ...

De novo protein design-From new structures to programmable functions.

Cell
Methods from artificial intelligence (AI) trained on large datasets of sequences and structures can now "write" proteins with new shapes and molecular functions de novo, without starting from proteins found in nature. In this Perspective, I will disc...

Computational Protein Design - Where it goes?

Current medicinal chemistry
Proteins have been playing a critical role in the regulation of diverse biological processes related to human life. With the increasing demand, functional proteins are sparse in this immense sequence space. Therefore, protein design has become an imp...

Artificial intelligence-aided protein engineering: from topological data analysis to deep protein language models.

Briefings in bioinformatics
Protein engineering is an emerging field in biotechnology that has the potential to revolutionize various areas, such as antibody design, drug discovery, food security, ecology, and more. However, the mutational space involved is too vast to be handl...

CProMG: controllable protein-oriented molecule generation with desired binding affinity and drug-like properties.

Bioinformatics (Oxford, England)
MOTIVATION: Deep learning-based molecule generation becomes a new paradigm of de novo molecule design since it enables fast and directional exploration in the vast chemical space. However, it is still an open issue to generate molecules, which bind t...

Data-driven enzyme engineering to identify function-enhancing enzymes.

Protein engineering, design & selection : PEDS
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...