Receptor-based computational screening of compound databases: the main docking-scoring engines.

  title={Receptor-based computational screening of compound databases: the main docking-scoring engines.},
  author={Olivier Sperandio and Maria A. Miteva and François Delfaud and Bruno O. Villoutreix},
  journal={Current protein & peptide science},
  volume={7 5},
The processes used by academic and industrial scientists to discover new drugs have recently experienced a true renaissance with many new and exciting techniques. The number of protein structures and/or chemical ligands is constantly growing, through the use of parallel chemistry, X-ray crystallography, NMR or homology modeling methods and so is the theoretical understanding of protein-ligand interactions. As such, structure-based approaches to drug-design and in silico screening are becoming… CONTINUE READING

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