Publications [#234107] of Michael J. Therien

Papers Published

1. McAllister, KA; Zou, H; Cochran, FV; Bender, GM; Senes, A; Fry, HC; Nanda, V; Keenan, PA; Lear, JD; Saven, JG; Therien, MJ; Blasie, JK; DeGrado, WF, Using alpha-helical coiled-coils to design nanostructured metalloporphyrin arrays., Journal of the American Chemical Society, vol. 130 no. 36 (September, 2008), pp. 11921-11927 [18710226], [doi]
   (last updated on 2026/01/17)

   Abstract:
   We have developed a computational design strategy based on the alpha-helical coiled-coil to generate modular peptide motifs capable of assembling into metalloporphyrin arrays of varying lengths. The current study highlights the extension of a two-metalloporphyrin array to a four-metalloporphyrin array through the incorporation of a coiled-coil repeat unit. Molecular dynamics simulations demonstrate that the initial design evolves rapidly to a stable structure with a small rmsd compared to the original model. Biophysical characterization reveals elongated proteins of the desired length, correct cofactor stoichiometry, and cofactor specificity. The successful extension of the two-porphyrin array demonstrates how this methodology serves as a foundation to create linear assemblies of organized electrically and optically responsive cofactors.