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. 2024 Jul 18;14:16605. doi: 10.1038/s41598-024-67781-5

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© The Author(s) 2024

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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Molecular docking and dynamics of the predicted peptides in complex with MHC molecules. (A) Molecular interaction between PCI-F3-038 and canine MHC-I molecules obtained with a molecular docking tool. (B) Root mean square deviation (RMSD) plot of the interaction interface between PCI-F3-053 and MHC class I. (C) Molecular interaction between PCI-H1-004 and canine MHC-I molecules obtained with a molecular docking tool. (D) RMSD deviation plot of the PCI-F3-004 and MHC class I interactions. Representative peptide–MHC complex molecules are shown. All 3D graphics were generated using the software UCSF Chimera. Graphs for molecular dynamics were obtained with Xmgrace software (Oregon Graduate Institute of Science and Technology, Hillsboro, OR, USA).