Computational and artificial intelligence-based methods for antibody development

J Kim, M McFee, Q Fang, O Abdin, PM Kim - Trends in pharmacological …, 2023 - cell.com
Due to their high target specificity and binding affinity, therapeutic antibodies are currently
the largest class of biotherapeutics. The traditional largely empirical antibody development …

[HTML][HTML] Deep generative modeling for protein design

A Strokach, PM Kim - Current opinion in structural biology, 2022 - Elsevier
Deep learning approaches have produced substantial breakthroughs in fields such as
image classification and natural language processing and are making rapid inroads in the …

Mega-scale experimental analysis of protein folding stability in biology and design

K Tsuboyama, J Dauparas, J Chen, E Laine… - Nature, 2023 - nature.com
Advances in DNA sequencing and machine learning are providing insights into protein
sequences and structures on an enormous scale. However, the energetics driving folding …

Fast and flexible protein design using deep graph neural networks

A Strokach, D Becerra, C Corbi-Verge, A Perez-Riba… - Cell systems, 2020 - cell.com
Protein structure and function is determined by the arrangement of the linear sequence of
amino acids in 3D space. We show that a deep graph neural network, ProteinSolver, can …

Global analysis of protein folding using massively parallel design, synthesis, and testing

GJ Rocklin, TM Chidyausiku, I Goreshnik, A Ford… - Science, 2017 - science.org
Proteins fold into unique native structures stabilized by thousands of weak interactions that
collectively overcome the entropic cost of folding. Although these forces are “encoded” in the …

Massively parallel de novo protein design for targeted therapeutics

A Chevalier, DA Silva, GJ Rocklin, DR Hicks… - Nature, 2017 - nature.com
De novo protein design holds promise for creating small stable proteins with shapes
customized to bind therapeutic targets. We describe a massively parallel approach for …

SYNBIP: synthetic binding proteins for research, diagnosis and therapy

X Wang, F Li, W Qiu, B Xu, Y Li, X Lian… - Nucleic acids …, 2022 - academic.oup.com
The success of protein engineering and design has extensively expanded the protein space,
which presents a promising strategy for creating next-generation proteins of diverse …

Recent advances in user-friendly computational tools to engineer protein function

CE Sequeiros-Borja, B Surpeta… - Briefings in …, 2021 - academic.oup.com
Progress in technology and algorithms throughout the past decade has transformed the field
of protein design and engineering. Computational approaches have become well-engrained …

Robust Design of Effective Allosteric Activators for Rsp5 E3 ligase using the machine learning tool ProteinMPNN

HW Kao, WL Lu, MR Ho, YF Lin, YJ Hsieh… - ACS Synthetic …, 2023 - ACS Publications
We used the deep learning tool ProteinMPNN to redesign ubiquitin (Ub) as a specific and
functionally stimulating/enhancing binder of the Rsp5 E3 ligase. We generated 20 …

[HTML][HTML] Machine learning-coupled combinatorial mutagenesis enables resource-efficient engineering of CRISPR-Cas9 genome editor activities

DGL Thean, HY Chu, JHC Fong, BKC Chan… - Nature …, 2022 - nature.com
The genome-editing Cas9 protein uses multiple amino-acid residues to bind the target DNA.
Considering only the residues in proximity to the target DNA as potential sites to optimise …