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. 2022 Feb 7;12:2024. doi: 10.1038/s41598-022-05875-8

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© The Author(s) 2022

Open Access This article is licensed under a Creative Commons Attribution 4.0 International License, which permits use, sharing, adaptation, distribution and reproduction in any medium or format, as long as you give appropriate credit to the original author(s) and the source, provide a link to the Creative Commons licence, and indicate if changes were made. The images or other third party material in this article are included in the article's Creative Commons licence, unless indicated otherwise in a credit line to the material. If material is not included in the article's Creative Commons licence and your intended use is not permitted by statutory regulation or exceeds the permitted use, you will need to obtain permission directly from the copyright holder. To view a copy of this licence, visit http://creativecommons.org/licenses/by/4.0/.

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Correlation plots between calculated DFE and experimental binding free energies ∆G_e. (a) Correlation plot for 19 PPCs. The open circle is an outlier (corresponding to complex 3SGB in Table 1). The indicated R² and SE (Standard Error) correspond to the Least-Square-Fitting after excluding the outlier. (b) Correlation plot for PLCs for target CDK2.