Inputs for UNRES/MREMD calculations, parameters of the cross-link potentials, and structures modeled with UNRES subject to cross-link restraints.

These are inputs, parameters ans structures obtained from assessment of two restraint potentials for coarse-grained chemical-cross-link-assisted modeling of protein structures.Inputs: a sample slurm script to run the parallel implementation of UNRES and UNRES input files for all calculations referred to in the paper.Parameters: UNRES force-field parameters, the parameters of MD-based cross-link potentials.Structures: PDB files of the sample structures shown in the paper.