alexa The many roles of computation in drug discovery.
Infectious Diseases

Infectious Diseases

Journal of Emerging Infectious Diseases

Author(s): Jorgensen WL

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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. This article was published in Science and referenced in Journal of Emerging Infectious Diseases

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