Review
doi: 10.1126/science.1096361.
The many roles of computation in drug discovery
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- PMID: 15031495
- DOI: 10.1126/science.1096361
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Review
The many roles of computation in drug discovery
Science.
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Abstract
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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