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Computational design of nonbiological protein-porphyrin complexes


Jeffery G. Saven, Dept. Chemistry, U. Penn

Global objectives and specific goals of the project:

  • Develop and apply methods for the de novo design of protein structure and sequence
  • Create protein-porphyrin complexes that contain nonbiological cofactors with novel optical and opto-electronic properties
  • Scientific strategy, approach and uniqueness
  • Use of computational methods for the complete design of protein structure and sequence
  • Methods address large numbers of possible sequences and structures

Conclusion and impact:
Via computational design, large bio-inspired proteins can be tailored to yield well structured nanoscale systems with abiotic functionalities

F. V. Cochran, S. P. Wu, W. Wang, V. Nanda, J. G. Saven, M. J. Therien, W. F. DeGrado, Computational de novo design and characterization of a four-helix bundle protein that selectively binds a non-biological cofactor. J Am Chem Soc, 2005. 127: 1346–1347.




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