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Docking & Chemoinformatic Screens for New Ligands and Targets

Computer-based docking screens are now widely used to discover new ligands for targets of known structure; in the last two years alone, the discovery of ligands for over 20 proteins have been reported. Recently, investigators have also turned to predicting new substrates and for enzymes of unknown f...

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Main Authors: Kolb, Peter, Ferreira, Rafaela S., Irwin, John J., Shoichet, Brian K.
格式: Artigo
語言:Inglês
出版: 2009
主題:
在線閱讀:https://ncbi.nlm.nih.gov/pmc/articles/PMC2766606/
https://ncbi.nlm.nih.gov/pubmed/19733475
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1016/j.copbio.2009.08.003
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