Single-chain CALVADOS simulations of α-synuclein–DCAF15 (WT and charge-neutralised variants)

Raw single-chain CALVADOS 3 coarse-grained molecular dynamics simulation output for the α-synuclein–DCAF15 pair, for wild-type DCAF15 and three charge-neutralized DCAF15 surface variants (4, 8 and 12 positively charged residues mutated to alanine). Each archive (single_chain_.tar.gz) contains 10 replicate simulations, each with the raw CALVADOS trajectory/topology/checkpoint/log files (asyn_dcaf15/), the derived analysis arrays used for figure generation (data/), and the simulation setup inputs (input/). The corresponding analysis code, notebook and setup scripts are available at https://github.com/KULL-Centre/_2026_brynjolfsdottir_dcaf15, and accompany the manuscript Brynjólfsdóttir et al.