Multi-epitope vaccine eliciting robust immune responses against diverse Crimean-Congo Hemorrhagic Fever virus strains targeting the glycoprotein and RNA polymerase: An Immunoinformatics-driven approach

This Zenodo repository contains the structural models and molecular dynamics simulation files generated during the study entitled: “Multi-epitope vaccine eliciting robust immune responses against diverse Crimean-Congo Hemorrhagic Fever virus strains targeting the glycoprotein and RNA polymerase: An Immunoinformatics-driven approach” The repository includes the predicted three-dimensional structures of Vaccine A and Vaccine B, along with molecular dynamics simulation files for the Vaccine B–TLR3 and Vaccine B–TLR4 complexes. Included files comprise: Predicted tertiary structures of Vaccine A and Vaccine B GROMACS trajectory (.xtc) files Portable binary run input (.tpr) files Final structural coordinate (.gro) files The molecular dynamics simulations were performed using GROMACS version 2024.4 with the CHARMM36 all-atom force field. These datasets are provided to support reproducibility, structural validation, and further computational analyses related to the vaccine–receptor interaction studies presented in the manuscript.