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. 2021 Jul 13;20:11769351211031864. doi: 10.1177/11769351211031864

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© The Author(s) 2021

This article is distributed under the terms of the Creative Commons Attribution-NonCommercial 4.0 License (https://creativecommons.org/licenses/by-nc/4.0/) which permits non-commercial use, reproduction and distribution of the work without further permission provided the original work is attributed as specified on the SAGE and Open Access pages (https://us.sagepub.com/en-us/nam/open-access-at-sage).

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Figure 3. — The stability of protein-ligand complex interactions can be seen from RMSD values. (A) The RMSD values of the EGFR-inhibitor, EGFR-WPPYQW, and EGFR-YDWRF complexes tend to be stable. (B) The RMSD values of the PI3K-inhibitor, PI3K-WPPYQW, and PI3K-YDWRF complexes are stable during the simulation. (C) The RMSD values of the AKT1-inhibitor, AKT1-WPPNYQW, and AKT1-YDWRF complexes are stable during the simulation. (D) The RMSD value of the CDK4-WPPNYQW complex is more stable than the CDK4-inhibitor and CDK4-YDWRF. The CDK4-YDWRF complex tends to be unstable because of its high RMSD value. (E) RMSD peptides and target proteins.

AKT1 indicates Protein Kinase B1; CDK4, Cyclin-Dependent Kinase 4; EGFR, Epidermal Growth Factor Receptor; PI3K, Phosphatidylinositol-3 kinase; RMSD, root mean square deviation.