Dataset for "Enhanced Binding Site Detection in Protein-Ligand Complexes with a Combined Blind Docking and Dipolar Electron Paramagnetic Resonance Approach"

This dataset contains supporting information for publication "Enhanced Binding Site Detection in Protein-Ligand Complexes with a Combined Blind Docking and Dipolar Electron Paramagnetic Resonance Approach" by Mikhail Kolokolov, Natalya Sannikova, Sergei Dementev, Roman Podarov, Kseniya Zhdanova, Natalya Bragina, Alexey Chubarov, Matvey Fedin and Olesya Krumkacheva. The dataset consists of raw EPR LaserIMD experiment results, complete DeerAnalysis output, .xyz structures of porphyrins calculated using quantum chemistry and final .pdb structures of albumin-porphyrin complexes obtained after blind and focused docking.