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Tag: Voelz lab

Evaluating protein force fields

January 31, 2022 by Angela Bowman
Ribbon diagram of the Trp cage 20 amino acid miniprotein

New projects from the Voelz lab focus on assessing how well modern force fields can model proteins, the biological machines of the cell.

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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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