I am using Dockres to summarize my virtual screening results. Dockres is helpful for my analysis.
I have a query regarding using a single conformation (especially best conformation (lowest binding energy) from the largest cluster) for the analysis rather than using best conformation(s) (with lowest binding energies).
This would complement the studies based on best conformation (lowest binding energy) from the largest cluster and will be more scrutinize the virtual screening studies.
Do we have such option in Dockres which I haven't found in its documentation?
And running Dockres with its options are self-explanatory, but it would be good if we have a tutorial which discusses the biological relevance of the options in Dockres.
Do we have a detailed tutorial for Dockres?
It would be really helpful.
Looking forward to your reply.