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Paper   IPM / Biological / 13254
School of Biological Sciences
  Title:   Evolution of Ligand-Diffusion Chreods on Protein-Surface Models:A Genetic Algorithm Study
  Author(s): 
1.  S. A. Marashi.
2.  M. Kargar.
3.  A. Katanforoush.
4.  H. Abolhasani.
5.  M. Sadeghi.
  Status:   Published
  Journal: Chemistry and Biodivrsity
  Vol.:  4
  Year:  2007
  Pages:   2766-2771
  Supported by:  IPM
  Abstract:
Lattice models have been previously used to model ligand diffusion on protein surfaces. Using such models, it has been shown that the presence of pathways (or �??chreodes�??) of consecutive residues with certain properties can decrease the number of steps required for the arrival of a ligand at the active site. In this work, we show that, based on a genetic algorithm, ligand-diffusion pathways can evolve on a protein surface, when this surface is selected for shortening the travel length toward the active site. Biological implications of these results are discussed.

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