Detecting local ligand-binding site similarity in nonhomologous proteins by surface patch comparison.

@article{Sael2012DetectingLL,
  title={Detecting local ligand-binding site similarity in nonhomologous proteins by surface patch comparison.},
  author={Lee Sael and Daisuke Kihara},
  journal={Proteins},
  year={2012},
  volume={80 4},
  pages={1177-95}
}
Functional elucidation of proteins is one of the essential tasks in biology. Function of a protein, specifically, small ligand molecules that bind to a protein, can be predicted by finding similar local surface regions in binding sites of known proteins. Here, we developed an alignment free local surface comparison method for predicting a ligand molecule which binds to a query protein. The algorithm, named Patch-Surfer, represents a binding pocket as a combination of segmented surface patches… CONTINUE READING
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