V600E biases the BRAF kinase domain toward an activation-compatible conformational ensemble through long-range dynamic rewiring

This dataset contains six molecular dynamics (MD) simulation trajectory files (XTC format) generated in our study. Three trajectories correspond to the wild‑type system (WT-md1.xtc, WT-md2.xtc, WT-md3.xtc), and the other three correspond to the V600E mutant system (V600E-md1.xtc, V600E-md2.xtc, V600E-md3.xtc). The MD simulations were performed using GROMACS. The trajectories are provided as supporting data to facilitate the reproduction of our analyses and to enable further investigations by the research community. File list: WT-md1.xtc, WT-md2.xtc, WT-md3.xtc – three independent replicas of the wild‑type system V600E-md1.xtc, V600E-md2.xtc, V600E-md3.xtc – three independent replicas of the V600E mutant system