Accurate structure prediction of biomolecular interactions with AlphaFold 3

• Published in: Nature (London) Vol. 630; no. 8016; pp. 493 - 500
• Main Authors: Abramson, Josh, Adler, Jonas, Dunger, Jack, Evans, Richard, Green, Tim, Pritzel, Alexander, Ronneberger, Olaf, Willmore, Lindsay, Ballard, Andrew J., Bambrick, Joshua, Bodenstein, Sebastian W., Evans, David A., Hung, Chia-Chun, O’Neill, Michael, Reiman, David, Tunyasuvunakool, Kathryn, Wu, Zachary, Žemgulytė, Akvilė, Arvaniti, Eirini, Beattie, Charles, Bertolli, Ottavia, Bridgland, Alex, Cherepanov, Alexey, Congreve, Miles, Cowen-Rivers, Alexander I., Cowie, Andrew, Figurnov, Michael, Fuchs, Fabian B., Gladman, Hannah, Jain, Rishub, Khan, Yousuf A., Low, Caroline M. R., Perlin, Kuba, Potapenko, Anna, Savy, Pascal, Singh, Sukhdeep, Stecula, Adrian, Thillaisundaram, Ashok, Tong, Catherine, Yakneen, Sergei, Zhong, Ellen D., Zielinski, Michal, Žídek, Augustin, Bapst, Victor, Kohli, Pushmeet, Jaderberg, Max, Hassabis, Demis, Jumper, John M.
• Format: Journal Article
• Language: English
• Published: London Nature Publishing Group UK 13.06.2024; Nature Publishing Group
• Subjects: 631/114/1305; 631/114/2411; 631/154; 631/535; Accuracy; Antibodies - chemistry; Antibodies - metabolism; Antigens - chemistry; Antigens - metabolism; Deep Learning - standards; Humanities and Social Sciences; Humans; Ions - chemistry; Ions - metabolism; Ligands; Modelling; Models, Molecular; Molecular Docking Simulation; multidisciplinary; Nucleic acids; Nucleic Acids - chemistry; Nucleic Acids - metabolism; Protein Binding; Protein Conformation; Proteins; Proteins - chemistry; Proteins - metabolism; Reproducibility of Results; Science; Science (multidisciplinary); Software - standards

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 , 3 , 4 , 5 – 6 . Here we describe our AlphaFold 3 model with a substantially updated diffusion-based arch...