Can we predict T cell specificity with digital biology and machine learning?

D Hudson, RA Fernandes, M Basham, G Ogg… - Nature Reviews …, 2023 - nature.com
Recent advances in machine learning and experimental biology have offered breakthrough
solutions to problems such as protein structure prediction that were long thought to be …

AlphaFold2 and its applications in the fields of biology and medicine

Z Yang, X Zeng, Y Zhao, R Chen - Signal Transduction and Targeted …, 2023 - nature.com
Abstract AlphaFold2 (AF2) is an artificial intelligence (AI) system developed by DeepMind
that can predict three-dimensional (3D) structures of proteins from amino acid sequences …

Accurate structure prediction of biomolecular interactions with AlphaFold 3

J Abramson, J Adler, J Dunger, R Evans, T Green… - Nature, 2024 - nature.com
The introduction of AlphaFold 21 has spurred a revolution in modelling the structure of
proteins and their interactions, enabling a huge range of applications in protein modelling …

Evolutionary-scale prediction of atomic-level protein structure with a language model

Z Lin, H Akin, R Rao, B Hie, Z Zhu, W Lu, N Smetanin… - Science, 2023 - science.org
Recent advances in machine learning have leveraged evolutionary information in multiple
sequence alignments to predict protein structure. We demonstrate direct inference of full …

[HTML][HTML] Programmable protein delivery with a bacterial contractile injection system

J Kreitz, MJ Friedrich, A Guru, B Lash, M Saito… - Nature, 2023 - nature.com
Endosymbiotic bacteria have evolved intricate delivery systems that enable these organisms
to interface with host biology. One example, the extracellular contractile injection systems …

Learning inverse folding from millions of predicted structures

C Hsu, R Verkuil, J Liu, Z Lin, B Hie… - International …, 2022 - proceedings.mlr.press
We consider the problem of predicting a protein sequence from its backbone atom
coordinates. Machine learning approaches to this problem to date have been limited by the …

OpenFold: Retraining AlphaFold2 yields new insights into its learning mechanisms and capacity for generalization

G Ahdritz, N Bouatta, C Floristean, S Kadyan, Q Xia… - Nature …, 2024 - nature.com
AlphaFold2 revolutionized structural biology with the ability to predict protein structures with
exceptionally high accuracy. Its implementation, however, lacks the code and data required …

Equibind: Geometric deep learning for drug binding structure prediction

H Stärk, O Ganea, L Pattanaik… - International …, 2022 - proceedings.mlr.press
Predicting how a drug-like molecule binds to a specific protein target is a core problem in
drug discovery. An extremely fast computational binding method would enable key …

High-resolution de novo structure prediction from primary sequence

R Wu, F Ding, R Wang, R Shen, X Zhang, S Luo, C Su… - BioRxiv, 2022 - biorxiv.org
Recent breakthroughs have used deep learning to exploit evolutionary information in
multiple sequence alignments (MSAs) to accurately predict protein structures. However …

ColabFold: making protein folding accessible to all

M Mirdita, K Schütze, Y Moriwaki, L Heo… - Nature …, 2022 - nature.com
ColabFold offers accelerated prediction of protein structures and complexes by combining
the fast homology search of MMseqs2 with AlphaFold2 or RoseTTAFold. ColabFold's 40− 60 …