FLOWR.ROOT - A flow matching-based foundation model for joint multi-purpose structure-aware 3D ligand generation and affinity prediction.
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| Title: | FLOWR.ROOT - A flow matching-based foundation model for joint multi-purpose structure-aware 3D ligand generation and affinity prediction. |
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| Authors: | Cremer J; Machine Learning & Computational Sciences, Pfizer Worldwide R&D, Berlin, Germany. jn.cremer@icloud.com., Le T; Machine Learning & Computational Sciences, Pfizer Worldwide R&D, Berlin, Germany., Ghahremanpour MM; Computational Chemistry, Medicine Design, Pfizer Worldwide R&D, Cambridge, MA, USA., Sługocka E; Doctoral School of Medical and Health Sciences, Jagiellonian University Medical College, Cracow, Poland.; Department of Physicochemical Drug Analysis, Faculty of Pharmacy, Jagiellonian University Medical College, Cracow, Poland., Menezes F; Institute of Structural Biology, Molecular Targets and Therapeutics Center, Helmholtz Munich, Neuherberg, Germany. filipe.menezes@helmholtz-munich.de.; TUM School of Natural Sciences, Department of Bioscience, Bayerisches NMR Zentrum, Technical University of Munich, Garching, Germany. filipe.menezes@helmholtz-munich.de., Clevert DA; Machine Learning & Computational Sciences, Pfizer Worldwide R&D, Berlin, Germany. |
| Source: | Nature communications [Nat Commun] 2026 Jul 06; Vol. 17 (1). Date of Electronic Publication: 2026 Jul 06. |
| Publication Type: | Journal Article; Research Support, Non-U.S. Gov't |
| Journal Info: | Publisher: Nature Pub. Group Country of Publication: England NLM ID: 101528555 Publication Model: Electronic Cited Medium: Internet ISSN: 2041-1723 (Electronic) Linking ISSN: 20411723 NLM ISO Abbreviation: Nat Commun Subsets: MEDLINE |
| Database: | MEDLINE Ultimate |
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| ISSN: | 2041-1723 |
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| DOI: | 10.1038/s41467-026-74130-9 |
