FLIPDock: docking flexible ligands into flexible receptors.

@article{Zhao2007FLIPDockDF,
  title={FLIPDock: docking flexible ligands into flexible receptors.},
  author={Yong Zhao and Michel F. Sanner},
  journal={Proteins},
  year={2007},
  volume={68 3},
  pages={
          726-37
        }
}
Conformational changes of biological macromolecules when binding with ligands have long been observed and remain a challenge for automated docking methods. Here we present a novel protein-ligand docking software called FLIPDock (Flexible LIgand-Protein Docking) allowing the automated docking of flexible ligand molecules into active sites of flexible receptor molecules. In FLIPDock, conformational spaces of molecules are encoded using a data structure that we have developed recently called the… CONTINUE READING

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