The screenings were conducted using the VirtualFlow platform by Dr Christopher Secker from the Department of Supercomputing of the Research Group "Efficient Large Scale Computing in Life Sciences" at Zuse Institute Berlin, Takustr. 7, D-14195 Berlin, Germany.

The file contains virtual screening output from the docking program Quick Vina 2 (docking scores and docking poses) and the target receptors with neutral and protonated histidine side chains (human µ-opioid receptor (MOR); PDB: 8EF5) prepared for docking at neutral and protonated state.

Supplementary_Data.tar.gz    To save, right click and save as. MD5-Hash (Supplementary_Data.tar.gz)=d4f230e04e27e276026a154c7c8533b5