Insulin–Receptor Complex: Short MD, 11-Å Fragments, Amino-Acid Dimers

A short description is provided below. For details, see the Methods section of the Yurenko et al., 2025 publication.
In the "Short-MD" folder, the insulin–IR minimized structure is provided (minimized.pdb), along with the three selected short 5ns MD trajectories
(the starting Run*.pdb and binary Run*xtc files).
In the "11A-fragments" folder, ten truncated insulin–IR complexes are present for each trajectory and optimization method.
In the "Amino-acid-dimers" folder, the pairs of amino acids from the three trajectories are provided as XYZ files. The numbering of the residues follows the minimized.pdb structure, see above.