Trying out the various facilities has been a very useful exercise for completing my Masters in MedChem.

However, when I emulated  the tutorial covering COX 1 and 2 inhibition, inputting the molecules fluribrofen and SC558 I generated via DS Visualiser bind at the outside edge of  the enzymes. Not centrally as displayed in the video.

I also noted the molecular data in  ViewDock, ie: energies etc, is missing. The table is blank other than the molecule number. Selecting 'Column' etc has no effect. The 'H-bonds' option does display however.

I've probably done something  wrong, hey ho...but can you enlighten me?

Best wishes   Simon