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Tag: drug discovery

Unprotected peptide macrocyclization and stapling via a fluorine-thiol displacement reaction

January 17, 2022 by Anton Thynell
Ribbon diagrams of four stapled helical peptides with "staples" shown in stick.

Over 1.8 milliseconds of simulation time on Folding@home helps understand a new class of stapled peptide therapeutics that show enhanced inhibition of cancer cell growth.

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COVID MOONSHOT SPRINT 11: The home stretch

December 27, 2021 by John Chodera
Spirocyclic compound scaffold used as the basis for COVID Moonshot Sprint 11

Rev up your GPUs and help us in the final stretch of nominating a patent-free oral antiviral for preclinical studies!

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