EUDOC: a computer program for identification of drug interaction sites in macromolecules and drug leads from chemical databases

@article{Pang2001EUDOCAC,
  title={EUDOC: a computer program for identification of drug interaction sites in macromolecules and drug leads from chemical databases},
  author={Yuan-Ping Pang and Emanuele Perola and Kun Xu and Franklyn G. Prendergast},
  journal={Journal of computational chemistry},
  year={2001},
  volume={22 15},
  pages={
          1750-1771
        }
}
The completion of the Human Genome Project, the growing effort on proteomics, and the Structural Genomics Initiative have recently intensified the attention being paid to reliable computer docking programs able to identify molecules that can affect the function of a macromolecule through molecular complexation. We report herein an automated computer docking program, EUDOC, for prediction of ligand-receptor complexes from 3D receptor structures, including metalloproteins, and for identification… CONTINUE READING
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