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Molecular Dynamics and Structural Studies of Zinc Chloroquine Complexes.
Paulikat M, Vitone D, Schackert FK, Schuth N, Barbanente A, Piccini G, Ippoliti E, Rossetti G, Clark AH, Nachtegaal M, Haumann M, Dau H, Carloni P, Geremia S, De Zorzi R, Quintanar L, Arnesano F. Paulikat M, et al. Among authors: geremia s. J Chem Inf Model. 2023 Jan 9;63(1):161-172. doi: 10.1021/acs.jcim.2c01164. Epub 2022 Dec 5. J Chem Inf Model. 2023. PMID: 36468829 Free article.
Toward the de novo design of a catalytically active helix bundle: a substrate-accessible carboxylate-bridged dinuclear metal center.
Di Costanzo L, Wade H, Geremia S, Randaccio L, Pavone V, DeGrado WF, Lombardi A. Di Costanzo L, et al. Among authors: geremia s. J Am Chem Soc. 2001 Dec 26;123(51):12749-57. doi: 10.1021/ja010506x. J Am Chem Soc. 2001. PMID: 11749531
Previously, we described the design and crystal structure determination of a di-Zn(II) complex of "due-ferri-1" (DF1), a protein patterned after the diiron-dimanganese class of redox-active proteins [Lombardi, A.; Summa, C.; Geremia, S.; Randaccio, L.; Pavone, V.; D …
Previously, we described the design and crystal structure determination of a di-Zn(II) complex of "due-ferri-1" (DF1), a protein patterned a …
111 results