Homology Modeling

Computational Pharmacology

A computational technique for constructing a three-dimensional model of a protein (target) based on the experimentally determined structure of a related protein (template) with significant sequence similarity. The method assumes that proteins with similar sequences adopt similar folds. Homology models are used for structure-based drug design when experimental structures are unavailable.

Exemples

  • AlphaFold — deep learning-based protein structure prediction (superseding traditional homology modeling)
  • SWISS-MODEL — automated homology modeling server
  • GPCR homology models used before crystal structures were available

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A computational technique for constructing a three-dimensional model of a protein (target) based on the experimentally determined structure of a related protein (template) with significant sequence similarity. The method assumes …