Efficient docking of peptides to proteins without prior knowledge of the binding site.

  title={Efficient docking of peptides to proteins without prior knowledge of the binding site.},
  author={Csaba Het{\'e}nyi and David van der Spoel},
  journal={Protein science : a publication of the Protein Society},
  volume={11 7},
Reliability in docking of ligand molecules to proteins or other targets is an important challenge for molecular modeling. Applications of the docking technique include not only prediction of the binding mode of novel drugs, but also other problems like the study of protein-protein interactions. Here we present a study on the reliability of the results obtained with the popular AutoDock program. We have performed systematical studies to test the ability of AutoDock to reproduce eight different… CONTINUE READING
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