Virtual screening of GPCRs: An in silico chemogenomics approach
نویسندگان
چکیده
منابع مشابه
Kernel methods for in silico chemogenomics
Predicting interactions between small molecules and proteins is a crucial ingredient of the drug discovery process. In particular, accurate predictive models are increasingly used to preselect potential lead compounds from large molecule databases, or to screen for side-effects. While classical in silico approaches focus on predicting interactions with a given specific target, new chemogenomics...
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MOTIVATION Predicting interactions between small molecules and proteins is a crucial step to decipher many biological processes, and plays a critical role in drug discovery. When no detailed 3D structure of the protein target is available, ligand-based virtual screening allows the construction of predictive models by learning to discriminate known ligands from non-ligands. However, the accuracy...
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ژورنال
عنوان ژورنال: BMC Bioinformatics
سال: 2008
ISSN: 1471-2105
DOI: 10.1186/1471-2105-9-363