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Hallucination of closed repeat proteins containing central pockets (2023)

Here, the authors constructed a deep-learning approach to design closed repeat proteins with central binding pockets—a step towards designing proteins to specifically bind small molecules.

c, Representative design trajectory showing the optimization of predicted local distance difference test (pLDDT, teal) and cyclic loss (dark blue) over 300 steps, with dashed lines indicating our selected score cutoffs. Linna An, Derrick R. Hicks, Dmitri Zorine, Justas Dauparas, Basile I. M. Wicky, Lukas F. Milles, Alexis Courbet, Asim K. Bera, Hannah Nguyen, Alex Kang, Lauren Carter & David Baker Linna An, Derrick R. Hicks, Dmitri Zorine, Justas Dauparas, Basile I. M. Wicky, Lukas F. Milles, Alexis Courbet, Asim K. Bera, Hannah Nguyen, Alex Kang, Lauren Carter & David Baker

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