Docking result for an updated submission: EDJ-MED-c9f55a56

This is a docking of a newer submission that @edgriffen alerted me to, which had been submitted to the site after I had already completed my docking of the submitted designs. Ed was targeting the Gln/Asn residues we believe is important in discriminating actives from inactives, so I’ve docked this entry into the same docking model I reported results for in my previous post:

This structure docks with a score of ~ -9.3, which would be in within the score cutoff I had used to select hits, and given the low MW of this structure, would represent a fairly efficient score.


The submission/design is detailed in the following post by Ed:

Please let me know if you have any questions, this structure should in my opinion be considered for synthesis!

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