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Protein Engineering

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How Deep Learning Tools Can Help Protein Engineers Find Good Sequences.

The journal of physical chemistry. B
The deep learning revolution introduced a new and efficacious way to address computational challenges in a wide range of fields, relying on large data sets and powerful computational resources. In protein engineering, we consider the challenge of com...

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 ...

Protein sequence design with deep generative models.

Current opinion in chemical biology
Protein engineering seeks to identify protein sequences with optimized properties. When guided by machine learning, protein sequence generation methods can draw on prior knowledge and experimental efforts to improve this process. In this review, we h...

Protein design and variant prediction using autoregressive generative models.

Nature communications
The ability to design functional sequences and predict effects of variation is central to protein engineering and biotherapeutics. State-of-art computational methods rely on models that leverage evolutionary information but are inadequate for importa...

A printable active network actuator built from an engineered biomolecular motor.

Nature materials
Leveraging the motion and force of individual molecular motors in a controlled manner to perform macroscopic tasks can provide substantial benefits to many applications, including robotics. Nonetheless, although millimetre-scale movement has been dem...

Optimization of therapeutic antibodies by predicting antigen specificity from antibody sequence via deep learning.

Nature biomedical engineering
The optimization of therapeutic antibodies is time-intensive and resource-demanding, largely because of the low-throughput screening of full-length antibodies (approximately 1 × 10 variants) expressed in mammalian cells, which typically results in fe...

Low-N protein engineering with data-efficient deep learning.

Nature methods
Protein engineering has enormous academic and industrial potential. However, it is limited by the lack of experimental assays that are consistent with the design goal and sufficiently high throughput to find rare, enhanced variants. Here we introduce...

Characterizing the function of domain linkers in regulating the dynamics of multi-domain fusion proteins by microsecond molecular dynamics simulations and artificial intelligence.

Proteins
Multi-domain proteins are not only formed through natural evolution but can also be generated by recombinant DNA technology. Because many fusion proteins can enhance the selectivity of cell targeting, these artificially produced molecules, called mul...

Machine Learning for Biologics: Opportunities for Protein Engineering, Developability, and Formulation.

Trends in pharmacological sciences
Successful biologics must satisfy multiple properties including activity and particular physicochemical features that are globally defined as developability. These multiple properties must be simultaneously optimized in a very broad design space of p...

Machine Learning Enables Selection of Epistatic Enzyme Mutants for Stability Against Unfolding and Detrimental Aggregation.

Chembiochem : a European journal of chemical biology
Machine learning (ML) has pervaded most areas of protein engineering, including stability and stereoselectivity. Using limonene epoxide hydrolase as the model enzyme and innov'SAR as the ML platform, comprising a digital signal process, we achieved h...