title: A discriminatory function for prediction of protein-DNA interactions based on alpha shape modeling.
abstract: BACKGROUND
  Protein-DNA interaction has significant importance in many biological processes. However, the underlying principle of the molecular recognition process is still largely unknown. As more high-resolution 3D structures of protein-DNA complex are becoming available, the surface characteristics of the complex become an important research topic.
  
  
  RESULTS
  In our work, we apply an alpha shape model to represent the surface structure of the protein-DNA complex and developed an interface-atom curvature-dependent conditional probability discriminatory function for the prediction of protein-DNA interaction. The interface-atom curvature-dependent formalism captures atomic interaction details better than the atomic distance-based method. The proposed method provides good performance in discriminating the native structures from the docking decoy sets, and outperforms the distance-dependent formalism in terms of the z-score. Computer experiment results show that the curvature-dependent formalism with the optimal parameters can achieve a native z-score of -8.17 in discriminating the native structure from the highest surface-complementarity scored decoy set and a native z-score of -7.38 in discriminating the native structure from the lowest RMSD decoy set. The interface-atom curvature-dependent formalism can also be used to predict apo version of DNA-binding proteins. These results suggest that the interface-atom curvature-dependent formalism has a good prediction capability for protein-DNA interactions.
  
  
  BACKGROUND
  The code and data sets are available for download on http://www.hy8.com/bioinformatics.htm
  
  
  BACKGROUND
  kenandzhou@hotmail.com.
authors: Department of Electronic Engineering, City University of Hong Kong, Tat Chee Avenue, Kowloon, Hong Kong. kenandzhou@hotmail.com
authors: Weiqiang
authors: W
authors: Zhou
authors: Hong
authors: H
authors: Yan
mesh_terms: D019295:Computational Biology / Q000379:methods*; D004247:DNA / Q000737:chemistry* / Q000378:metabolism; D004268:DNA-Binding Proteins / Q000737:chemistry* / Q000378:metabolism; D030561:Databases, Nucleic Acid; D030562:Databases, Protein; D008958:Models, Molecular; D011487:Protein Conformation
chemical_list: D004268:DNA-Binding Proteins; D004247:DNA