OpenFold: retraining AlphaFold2 yields new insights into its learning mechanisms and capacity for generalization
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Published:2024-05-14
Issue:8
Volume:21
Page:1514-1524
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ISSN:1548-7091
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Container-title:Nature Methods
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language:en
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Short-container-title:Nat Methods
Author:
Ahdritz GustafORCID, Bouatta NazimORCID, Floristean Christina, Kadyan Sachin, Xia Qinghui, Gerecke William, O’Donnell Timothy J., Berenberg Daniel, Fisk Ian, Zanichelli Niccolò, Zhang BoORCID, Nowaczynski Arkadiusz, Wang Bei, Stepniewska-Dziubinska Marta M., Zhang Shang, Ojewole AdegokeORCID, Guney Murat Efe, Biderman Stella, Watkins Andrew M., Ra Stephen, Lorenzo Pablo Ribalta, Nivon Lucas, Weitzner BrianORCID, Ban Yih-En Andrew, Chen ShiyangORCID, Zhang Minjia, Li Conglong, Song Shuaiwen Leon, He Yuxiong, Sorger Peter K.ORCID, Mostaque Emad, Zhang ZhaoORCID, Bonneau Richard, AlQuraishi MohammedORCID
Funder
U.S. Department of Health & Human Services | NIH | National Institute of General Medical Sciences U.S. Department of Health & Human Services | NIH | National Cancer Institute National Science Foundation
Publisher
Springer Science and Business Media LLC
Reference67 articles.
1. Anfinsen, C. B. Principles that govern the folding of protein chains. Science 181, 223–230 (1973). 2. Dill, K. A., Ozkan, S. B., Shell, M. S. & Weikl, T. R. The protein folding problem. Annu. Rev. Biophys. 37, 289–316 (2008). 3. Jones, D. T., Singh, T., Kosciolek, T. & Tetchner, S. MetaPSICOV: combining coevolution methods for accurate prediction of contacts and long range hydrogen bonding in proteins. Bioinformatics 31, 999–1006 (2015). 4. Golkov, V. et al. Protein contact prediction from amino acid co-evolution using convolutional networks for graph-valued images. In Advances in Neural Information Processing Systems (eds Lee, D. et al.) (Curran Associates, 2016). 5. Wang, S., Sun, S., Li, Z., Zhang, R. & Xu, J. Accurate de novo prediction of protein contact map by ultra-deep learning model. PLoS Comput. Biol. 13, e1005324 (2017).
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