BarVac: 3D structures, docking results, and MD simulations of multi-epitope vaccine candidate against Bartonella spp

This dataset contains all 3D structures of the BarVac multi-epitope vaccine candidate and its interactions with host receptors. Protein structures are provided in PDB format. In addition, docking results with Toll-like receptor-2 (TLR2) and molecular dynamics simulation trajectories are included. These data were generated as part of the computational design and evaluation of the vaccine construct. The dataset enables reproduction of docking analyses, structural validations, and further simulation-based studies. Researchers can reuse these files for comparative immunoinformatics, vaccine design benchmarking, or structural refinement.