Scope of Work We will elaborate new classes of de novo proteins that differ radically from natural photosynthetic systems and electron transfer proteins, that will ultimately enable us to decipher the essential engineering criteria important for the efficient conversion of photonic energy into electrochemical potential energy. Ultimately, we aim to establish rules, principles, and quantitative models that describe biological energy conversion by studying designed, well- controlled de novo proteins-systems that permit the logical dissection of structure-function relationships in molecular bioenergetics. Our efforts will include: (i) cofactor design and synthesis, (ii) protein expression, (iii) modern time-resolved spectroscopy, (iv) computational protein design, (v) molecular simulation, (vi) and theoretical analysis of fluctuating charge transport pathways, electronic coupling interactions, and charge migration dynamics.

Agency
National Institute of Health (NIH)
Institute
National Institute of General Medical Sciences (NIGMS)
Type
Research Project (R01)
Project #
3R01GM071628-08S1
Application #
8656883
Study Section
Special Emphasis Panel (ZRG1 (02))
Program Officer
Smith, Ward
Project Start
2004-08-01
Project End
2015-07-31
Budget Start
2013-08-01
Budget End
2014-07-31
Support Year
8
Fiscal Year
2013
Total Cost
$62,655
Indirect Cost
$19,391
Name
Duke University
Department
Chemistry
Type
Schools of Arts and Sciences
DUNS #
044387793
City
Durham
State
NC
Country
United States
Zip Code
27705
Migliore, Agostino; Polizzi, Nicholas F; Therien, Michael J et al. (2014) Biochemistry and theory of proton-coupled electron transfer. Chem Rev 114:3381-465
Fry, H Christopher; Lehmann, Andreas; Sinks, Louise E et al. (2013) Computational de novo design and characterization of a protein that selectively binds a highly hyperpolarizable abiological chromophore. J Am Chem Soc 135:13914-26
Brancolini, Giorgia; Migliore, Agostino; Corni, Stefano et al. (2013) Dynamical treatment of charge transfer through duplex nucleic acids containing modified adenines. ACS Nano 7:9396-406
Koo, Jaseung; Park, Jaehong; Tronin, Andrey et al. (2012) Acentric 2-D ensembles of D-br-A electron-transfer chromophores via vectorial orientation within amphiphilic n-helix bundle peptides for photovoltaic device applications. Langmuir 28:3227-38
Polizzi, Nicholas F; Skourtis, Spiros S; Beratan, David N (2012) Physical constraints on charge transport through bacterial nanowires. Faraday Discuss 155:43-62; discussion 103-14
Fry, H Christopher; Lehmann, Andreas; Saven, Jeffery G et al. (2010) Computational design and elaboration of a de novo heterotetrameric alpha-helical protein that selectively binds an emissive abiological (porphinato)zinc chromophore. J Am Chem Soc 132:3997-4005
McAllister, Karen A; Zou, Hongling; Cochran, Frank V et al. (2008) Using alpha-helical coiled-coils to design nanostructured metalloporphyrin arrays. J Am Chem Soc 130:11921-7
Lehmann, Andreas; Saven, Jeffery G (2008) Computational design of four-helix bundle proteins that bind nonbiological cofactors. Biotechnol Prog 24:74-9
Kang, Seung-gu; Saven, Jeffery G (2007) Computational protein design: structure, function and combinatorial diversity. Curr Opin Chem Biol 11:329-34
Bender, Gretchen M; Lehmann, Andreas; Zou, Hongling et al. (2007) De novo design of a single-chain diphenylporphyrin metalloprotein. J Am Chem Soc 129:10732-40

Showing the most recent 10 out of 14 publications