Update on computer-aided drug design.

R C Jackson

doi:10.1016/0958-1669(95)80106-5

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PubMed · 8527834

Update on computer-aided drug design.

R C Jackson

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Abstract

Recent advances in computational methods for drug design include developments in quantitative structure-activity relationship approaches as well as novel structure-based strategies. Many new protein structures of pharmaceutical interest have been solved, a number of which contain a bound inhibitor. Continued progress has been reported in algorithms for de novo design, ligand docking, and scoring of protein-ligand binding energy. Meanwhile, several drugs that were designed by intensive use of computational methods are advancing through clinical trials.

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Biotechnology Computer-Aided Design Drug Design Humans Ligands Magnetic Resonance Spectroscopy Models, Chemical Molecular Structure Neural Networks, Computer Proteins Structure-Activity Relationship Journal Article Review

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R C Jackson. 1995. Update on computer-aided drug design.. https://doi.org/10.1016/0958-1669(95)80106-5

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