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Evolution of 'ligand-deffusion chreodes' on protein-surface models: A genetic-algorithm study

Marashi, A ; Sharif University of Technology | 2007

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  1. Type of Document: Article
  2. DOI: 10.1002/cbdv.200790225
  3. Publisher: 2007
  4. Abstract:
  5. 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. © 2007 Verlag Helvetica Chimica Acta AG, Zürich
  6. Keywords:
  7. Ligand ; Protein ; Ligand ; Diffusion ; Denetic algorithm ; Molecular evolution ; Mutation ; Protein function ; Protein stability ; Protein structure ; Simulation ; Biological model ; Genetics ; Metabolism ; Surface property ; Biological Models ; Surface Properties
  8. Source: Chemistry and Biodiversity ; Volume 4, Issue 12 , 2007 , Pages 2766-2771 ; 16121872 (ISSN)
  9. URL: https://onlinelibrary.wiley.com/doi/10.1002/cbdv.200790225