Virtual Screening Workflow

I am using a virtual screening workflow to dock multiple datasets to a grid that I have already created. Although, using the workflow, and the different glide nodes, I don’t seem to be getting the docking score for all ligands in the dataset, I only get a few at the top, and the rest show up as empty. I was wondering if there was a way for all the docking scores to show up?

Hi there @bashok,

welcome to KNIME Community!

Seems this topics belongs to a specific sub-category but not sure which one. There should get proper attention. Which nodes/extension so you use?


Hi @ipazin,

I will try posting this in a specific category! Also i am using the Glide Ligand Docking nodes, and am using the settings for Glide HTVS,SP and XP.

HI @bashok,

no need to post again. I’ll change Category. Hopefully to the right one :wink:

Fell free to link workflow you are using.


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