The many roles of computation in drug discovery.
review · Level V
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- Record sourced from PubMed, PMID 15031495.
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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.
Medical subject headings
- Computer Simulation
- Drug Design
- Drug Evaluation, Preclinical
- Pharmaceutical Preparations
- Software