The Many Roles of Computation in Drug Discovery
Top Cited Papers
- 19 March 2004
- journal article
- review article
- Published by American Association for the Advancement of Science (AAAS) in Science
- Vol. 303 (5665), 1813-1818
- https://doi.org/10.1126/science.1096361
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 publication has 60 references indexed in Scilit:
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