Machine-learning-guided directed evolution for protein engineering

KK Yang, Z Wu, FH Arnold - Nature methods, 2019 - nature.com
Protein engineering through machine-learning-guided directed evolution enables the
optimization of protein functions. Machine-learning approaches predict how sequence maps …

Deep learning in protein structural modeling and design

W Gao, SP Mahajan, J Sulam, JJ Gray - Patterns, 2020 - cell.com
Deep learning is catalyzing a scientific revolution fueled by big data, accessible toolkits, and
powerful computational resources, impacting many fields, including protein structural …

Low-N protein engineering with data-efficient deep learning

S Biswas, G Khimulya, EC Alley, KM Esvelt… - Nature …, 2021 - nature.com
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 …

Generative models for graph-based protein design

J Ingraham, V Garg, R Barzilay… - Advances in neural …, 2019 - proceedings.neurips.cc
Engineered proteins offer the potential to solve many problems in biomedicine, energy, and
materials science, but creating designs that succeed is difficult in practice. A significant …

Machine learning-assisted directed protein evolution with combinatorial libraries

Z Wu, SBJ Kan, RD Lewis… - Proceedings of the …, 2019 - National Acad Sciences
To reduce experimental effort associated with directed protein evolution and to explore the
sequence space encoded by mutating multiple positions simultaneously, we incorporate …

Progress and challenges for the machine learning-based design of fit-for-purpose monoclonal antibodies

R Akbar, H Bashour, P Rawat, PA Robert, E Smorodina… - MAbs, 2022 - Taylor & Francis
Although the therapeutic efficacy and commercial success of monoclonal antibodies (mAbs)
are tremendous, the design and discovery of new candidates remain a time and cost …

Deep generative models of genetic variation capture the effects of mutations

AJ Riesselman, JB Ingraham, DS Marks - Nature methods, 2018 - nature.com
The functions of proteins and RNAs are defined by the collective interactions of many
residues, and yet most statistical models of biological sequences consider sites nearly …

Using deep learning to annotate the protein universe

ML Bileschi, D Belanger, DH Bryant, T Sanderson… - Nature …, 2022 - nature.com
Understanding the relationship between amino acid sequence and protein function is a long-
standing challenge with far-reaching scientific and translational implications. State-of-the-art …

Machine learning for biologics: opportunities for protein engineering, developability, and formulation

H Narayanan, F Dingfelder, A Butté, N Lorenzen… - Trends in …, 2021 - cell.com
Successful biologics must satisfy multiple properties including activity and particular
physicochemical features that are globally defined as developability. These multiple …

[HTML][HTML] Protein–protein interaction prediction with deep learning: A comprehensive review

F Soleymani, E Paquet, H Viktor, W Michalowski… - Computational and …, 2022 - Elsevier
Most proteins perform their biological function by interacting with themselves or other
molecules. Thus, one may obtain biological insights into protein functions, disease …