Affiliation:
1. Department of Chemistry, Yale University, New Haven, CT 06520-8107, USA.
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.
Publisher
American Association for the Advancement of Science (AAAS)
Cited by
1263 articles.
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