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StructuralGenomicsConsortium / CNP18-DENVRdrp-VirtualScreen

An SGC Chemical Networks Project devoted to the DENV Rdrp, focusing specifically on the results from a virtual screening campaign of the Enamine REAL space to identify hits. Use the link below to learn about other READDI-AViDD projects.
https://tinyurl.com/READDIAC
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Checking content #3

Open RebeckaIsaksson opened 7 months ago

RebeckaIsaksson commented 7 months ago

Hi Anwar and Kostya,

I've been updating this repository and would like to get your feedback on it. Is there anything relating to the VS or initial work that I should update?

Also curious if you have the name of the person that did the selection of the 73 (later 65) compounds that were selected from the ~1000 hits from the VS? I would like to credit them.

Best, Rebecka

RebeckaIsaksson commented 4 months ago

I've made some updates to the section about the virtual screen to better reflect the work done. Let me know if you see any modifications that are needed.