The Many Roles of Computation in Drug Discovery

@article{Jorgensen2004TheMR,
  title={The Many Roles of Computation in Drug Discovery},
  author={W. L. Jorgensen},
  journal={Science},
  year={2004},
  volume={303},
  pages={1813 - 1818}
}
An overview is given on the diverse uses of computational chemistry in drug discovery. Particular emphasis is placed on virtual screening, de novo design, evaluation of drug-likeness, and advanced methods for determining protein-ligand binding. 

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