PostEra

Submission NIR-THE-590dedc7

COVID COVID_submissions
#1

Topic automatically created for discussing the designs at:
https://covid.postera.ai/covid/submissions/NIR-THE-590dedc7

#2

The comments on the EDJ-MED-3c65e9ce submission may be helpful.

#3

Here’s the direct Fragalysis link:


@londonir C44 buries it’s sulfur towards Tyr54 into a hydrophobic pocket; is there reason to believe it might swing out and deprotonate just because there’s an electrophile vaguely in the vicinity?