Maximum Common Binding Modes (MCBM): Consensus Docking Scoring Using Multiple Ligand Information and Interaction Fingerprints

@article{Renner2008MaximumCB,
  title={Maximum Common Binding Modes (MCBM): Consensus Docking Scoring Using Multiple Ligand Information and Interaction Fingerprints},
  author={Steffen Renner and Swetlana Derksen and Sebastian Radestock and Fabian M{\"o}rchen},
  journal={Journal of chemical information and modeling},
  year={2008},
  volume={48 2},
  pages={319-32}
}
Improving the scoring functions for small molecule-protein docking is a highly challenging task in current computational drug design. Here we present a novel consensus scoring concept for the prediction of binding modes for multiple known active ligands. Similar ligands are generally believed to bind to their receptor in a similar fashion. The presumption of our approach was that the true binding modes of similar ligands should be more similar to each other compared to false positive binding… CONTINUE READING