We explored the Protein Data Bank (PDB) to collect protein–ssDNA structures and create a multi‐conformational docking benchmark including both bound and unbound protein structures. Due to ssDNA high flexibility when not bound, no ssDNA unbound structure is included in the benchmark.
This benchmark is, to our knowledge, the first one made to peruse available structures of ssDNA–protein interactions to such an extent, aiming to improve computational docking tools dedicated to this kind of molecular interactions.