DeepMind Blog

AlphaFold: Five years of impact

Explore how AlphaFold has accelerated science and fueled a global wave of biological discovery.

arXiv AI
Jun 30

Building AI-Ready Data Systems for Space Life Sciences, Aerospace Medicine, and Deep Space Exploration

arXiv:2606. 28856v1 Announce Type: cross Abstract: While AI holds the potential to revolutionize space life sciences, realizing this promise is contingent upon the systematic restructuring of heterogeneous spaceflight biological data into machine-actionable, AI-ready forms.

By Sylvain V. Costes, Sergio Garcia Busto, Ryan T. Scott, James A. Casaletto, Gautier Bardi de Fourtou, Brian M. Evarts, Amanda M. Saravia-Butler, Xavier-Lewis Palmer, Rodrigo Coutinho de Almeida, Laetitia Frost, Jelena Te\v{s}i\'c, Afshin Beheshti, Christopher E. Mason, Peter W. Rose, Sergio E. Baranzini, Lauren M. Sanders, Stefania Giacomello, Pedro Madrigal
arXiv Machine Learning
Jun 30

Inference-time optimization for experiment-grounded protein ensemble generation

arXiv:2602. 24007v3 Announce Type: replace-cross Abstract: Protein function relies on dynamic conformational ensembles, yet current generative models like AlphaFold3 often fail to produce ensembles that match experimental data.

By Advaith Maddipatla, Anar Rzayev, Marco Pegoraro, Martin Pacesa, Paul Schanda, Ailie Marx, Sanketh Vedula, Alex M. Bronstein
arXiv Machine Learning
Jun 5

An accurate nucleic acid-small molecule docking framework via geometric deep learning with large-scale pretraining

arXiv:2606. 05198v1 Announce Type: cross Abstract: Nucleic acids are increasingly recognized as therapeutic targets beyond conventional protein-centered drug discovery, yet accurate and efficient docking of small molecules to nucleic acid structures remains challenging.

By Shi Li (College of Pharmaceutical Sciences, Zhejiang University, Hangzhou, Zhejiang, P. R. China), Xujun Zhang (College of Pharmaceutical Sciences, Zhejiang University, Hangzhou, Zhejiang, P. R. China), Mingquan Liu (Faculty of Health Sciences, University of Macau, Macau SAR, China), Hui Zhang (College of Pharmaceutical Sciences, Zhejiang University, Hangzhou, Zhejiang, P. R. China, Shanghai Innovation Institute, Shanghai, China), Shuoying Jia (College of Pharmaceutical Sciences, Zhejiang University, Hangzhou, Zhejiang, P. R. China, Shanghai Innovation Institute, Shanghai, China), Yu Kang (College of Pharmaceutical Sciences, Zhejiang University, Hangzhou, Zhejiang, P. R. China, Shanghai Innovation Institute, Shanghai, China), Tingjun Hou (College of Pharmaceutical Sciences, Zhejiang University, Hangzhou, Zhejiang, P. R. China, Zhejiang Provincial Key Laboratory for Intelligent Drug Discovery and Development, Jinhua Institute of Zhejiang University, Zhejiang, China), Peichen Pan (College of Pharmaceutical Sciences, Zhejiang University, Hangzhou, Zhejiang, P. R. China, Zhejiang Provincial Key Laboratory for Intelligent Drug Discovery and Development, Jinhua Institute of Zhejiang University, Zhejiang, China)