Molecular Dynamics Simulations Guide Chimeragenesis and Engineered Control of Chemoselectivity in Diketopiperazine Dimerases

2023-01-07 | Molecular Dynamics Simulations Guide Chimeragenesis and Engineered Control of Chemoselectivity in Diketopiperazine Dimerases – Angew. Chem. Int. Ed.. Shende, V. V.; Harris, N. R.; Sanders, J. N.; Newmister, S. A.; Khatri, Y.; Movassaghi, M.; Houk,^* K. N.; Sherman, D. H.