Nature Communications (Jun 2021)
Crowdsourced mapping of unexplored target space of kinase inhibitors
- Anna Cichońska,
- Balaguru Ravikumar,
- Robert J. Allaway,
- Fangping Wan,
- Sungjoon Park,
- Olexandr Isayev,
- Shuya Li,
- Michael Mason,
- Andrew Lamb,
- Ziaurrehman Tanoli,
- Minji Jeon,
- Sunkyu Kim,
- Mariya Popova,
- Stephen Capuzzi,
- Jianyang Zeng,
- Kristen Dang,
- Gregory Koytiger,
- Jaewoo Kang,
- Carrow I. Wells,
- Timothy M. Willson,
- The IDG-DREAM Drug-Kinase Binding Prediction Challenge Consortium,
- Tudor I. Oprea,
- Avner Schlessinger,
- David H. Drewry,
- Gustavo Stolovitzky,
- Krister Wennerberg,
- Justin Guinney,
- Tero Aittokallio
Affiliations
- Anna Cichońska
- Institute for Molecular Medicine Finland (FIMM), HiLIFE, University of Helsinki
- Balaguru Ravikumar
- Institute for Molecular Medicine Finland (FIMM), HiLIFE, University of Helsinki
- Robert J. Allaway
- Computational Oncology, Sage Bionetworks
- Fangping Wan
- Institute for Interdisciplinary Information Sciences, Tsinghua University
- Sungjoon Park
- Department of Computer Science and Engineering, Korea University
- Olexandr Isayev
- Department of Chemistry, Carnegie Mellon University
- Shuya Li
- Institute for Interdisciplinary Information Sciences, Tsinghua University
- Michael Mason
- Computational Oncology, Sage Bionetworks
- Andrew Lamb
- Computational Oncology, Sage Bionetworks
- Ziaurrehman Tanoli
- Institute for Molecular Medicine Finland (FIMM), HiLIFE, University of Helsinki
- Minji Jeon
- Department of Computer Science and Engineering, Korea University
- Sunkyu Kim
- Department of Computer Science and Engineering, Korea University
- Mariya Popova
- Department of Chemistry, Carnegie Mellon University
- Stephen Capuzzi
- Laboratory for Molecular Modeling, Division of Chemical Biology and Medicinal Chemistry, UNC Eshelman School of Pharmacy, University of North Carolina
- Jianyang Zeng
- Institute for Interdisciplinary Information Sciences, Tsinghua University
- Kristen Dang
- Computational Oncology, Sage Bionetworks
- Gregory Koytiger
- Immuneering Corporation
- Jaewoo Kang
- Department of Computer Science and Engineering, Korea University
- Carrow I. Wells
- Structural Genomics Consortium, UNC Eshelman School of Pharmacy, University of North Carolina
- Timothy M. Willson
- Structural Genomics Consortium, UNC Eshelman School of Pharmacy, University of North Carolina
- The IDG-DREAM Drug-Kinase Binding Prediction Challenge Consortium
- Tudor I. Oprea
- Translational Informatics Division and Comprehensive Cancer Center, University of New Mexico School of Medicine
- Avner Schlessinger
- Department of Pharmacological Sciences, Icahn School of Medicine at Mount Sinai
- David H. Drewry
- Structural Genomics Consortium, UNC Eshelman School of Pharmacy, University of North Carolina
- Gustavo Stolovitzky
- IBM T J Watson Research Center, IBM
- Krister Wennerberg
- Biotech Research and Innovation Centre (BRIC), University of Copenhagen
- Justin Guinney
- Computational Oncology, Sage Bionetworks
- Tero Aittokallio
- Institute for Molecular Medicine Finland (FIMM), HiLIFE, University of Helsinki
- DOI
- https://doi.org/10.1038/s41467-021-23165-1
- Journal volume & issue
-
Vol. 12,
no. 1
pp. 1 – 18
Abstract
The IDG-DREAM Challenge carried out crowdsourced benchmarking of predictive algorithms for kinase inhibitor activities on unpublished data. This study provides a resource to compare emerging algorithms and prioritize new kinase activities to accelerate drug discovery and repurposing efforts.
