The HADDOCK2. 4 web server for integrative modeling of biomolecular complexes

RV Honorato, ME Trellet, B Jiménez-García… - Nature protocols, 2024 - nature.com
Interactions between macromolecules, such as proteins and nucleic acids, are essential for
cellular functions. Experimental methods can fail to provide all the information required to …

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 2 has spurred a revolution in modelling the structure of
proteins and their interactions, enabling a huge range of applications in protein modelling …

Generalized biomolecular modeling and design with RoseTTAFold All-Atom

R Krishna, J Wang, W Ahern, P Sturmfels, P Venkatesh… - Science, 2024 - science.org
Deep-learning methods have revolutionized protein structure prediction and design but are
presently limited to protein-only systems. We describe RoseTTAFold All-Atom (RFAA), which …

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

G Ahdritz, N Bouatta, C Floristean, S Kadyan, Q **a… - 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 …

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 …

AlphaFold predictions are valuable hypotheses and accelerate but do not replace experimental structure determination

TC Terwilliger, D Liebschner, TI Croll, CJ Williams… - Nature …, 2024 - nature.com
Artificial intelligence-based protein structure prediction methods such as AlphaFold have
revolutionized structural biology. The accuracies of these predictions vary, however, and …

Mechanisms and pathology of protein misfolding and aggregation

N Louros, J Schymkowitz, F Rousseau - Nature Reviews Molecular Cell …, 2023 - nature.com
Despite advances in machine learning-based protein structure prediction, we are still far
from fully understanding how proteins fold into their native conformation. The conventional …

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 …