Accurate structure prediction of biomolecular interactions with AlphaFold 3
Точное предсказание структуры биомолекулярных взаимодействий с помощью AlphaFold 3
2024-05-08
SCID: 54.1/7wt3h86c
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AlphaFold 3biomolecular interaction structure predictiondiffusion-based architectureprotein–ligand interactionsprotein–nucleic acid interactions
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Abstract (AI)
Abstract The introduction of AlphaFold 2 1 has spurred a revolution in modelling the structure of proteins and their interactions, enabling a huge range of applications in protein modelling and design 2–6 . Here we describe our AlphaFold 3 model with a substantially updated diffusion-based architecture that is capable of predicting the joint structure of complexes including proteins, nucleic acids, small molecules, ions and modified residues. The new AlphaFold model demonstrates substantially improved accuracy over many previous specialized tools: far greater accuracy for protein–ligand interactions compared with state-of-the-art docking tools, much higher accuracy for protein–nucleic acid interactions compared with nucleic-acid-specific predictors and substantially higher antibody–antigen prediction accuracy compared with AlphaFold-Multimer v.2.3 7,8 . Together, these results show that high-accuracy modelling across biomolecular space is possible within a single unified deep-learning framework.
Key Findings
1
AlphaFold 3 achieves substantially greater accuracy for protein–ligand interactions than state-of-the-art docking tools.
2
AlphaFold 3 substantially improves antibody–antigen prediction accuracy compared with AlphaFold-Multimer v.2.3.
3
AlphaFold 3 uses an substantially updated diffusion-based architecture to predict joint structures of complexes containing proteins, nucleic acids, small molecules, ions, and modified residues.
4
The model provides much higher accuracy for protein–nucleic acid interactions than nucleic-acid-specific predictors.
5
The results demonstrate that accurate modelling across diverse biomolecular interactions is possible within one unified deep-learning framework.
Research Object
Biomolecular complexes comprising proteins, nucleic acids, small molecules, ions, and modified residues
Research Subject
Accurate prediction of joint complex structures and biomolecular interactions across protein–ligand, protein–nucleic acid, and antibody–antigen systems
Publication Details
Publication Date
2024-05-08
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