Validation of an empirical RNA-ligand scoring function for fast flexible docking using RiboDock

@article{Morley2004ValidationOA,
  title={Validation of an empirical RNA-ligand scoring function for fast flexible docking using RiboDock},
  author={S. David Morley and Mohammad Afshar},
  journal={Journal of computer-aided molecular design},
  year={2004},
  volume={18 3},
  pages={189-208}
}
We report the design and validation of a fast empirical function for scoring RNA-ligand interactions, and describe its implementation within RiboDock, a virtual screening system for automated flexible docking. Building on well-known protein-ligand scoring function foundations, features were added to describe the interactions of common RNA-binding functional groups that were not handled adequately by conventional terms, to disfavour non-complementary polar contacts, and to control non-specific… CONTINUE READING
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