Dataset related to publication: Prefusion-stabilized SARS-CoV-2 spike reshapes antigenic hierarchy and antibody targeting against conserved and occluded epitopes

This dataset contains molecular dynamics simulation inputs and trajectories for the wild-type (WT) trimeric 1Up Spike and the stabilized 2P mutant. It includes PDB and PSF structures, topology and force field files, and systems prepared both with and without ions and explicit solvent. A representative 620-frame DCD trajectory (excluding water and ions) covering the full simulation is also provided. These data enable analysis of conformational dynamics, inter-domain interactions, and the structural effects of stabilizing mutations on Spike protein behavior.