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- W3123454493 endingPage "322" @default.
- W3123454493 startingPage "277" @default.
- W3123454493 abstract "A detailed understanding of ligand–protein interactions is a key element in the search for novel drugs. The activity profile of novel compounds is essential to understand their mechanism of action as well as potential side effects. In phenotypic screening, compounds are identified due to a beneficial effect in a cellular or organism model, but the protein targets are typically not known. Various in silico methods have been established, which are capable to suggest the putative target or targets with good success rates. Here, we give an overview of ligand- and structure-based in silico methods for target prediction. These methods clearly profit from the large volume of ligand–protein data in public and corporate databases. The benefits, potential opportunities, and challenges for different methods are discussed. The number of available validation studies as well as prospective applications underline the importance of in silico methods as an integrated part of target prediction to help enable the discovery of novel targets." @default.
- W3123454493 created "2021-02-01" @default.
- W3123454493 creator A5007864658 @default.
- W3123454493 creator A5042738116 @default.
- W3123454493 creator A5061787871 @default.
- W3123454493 date "2019-10-14" @default.
- W3123454493 modified "2023-10-16" @default.
- W3123454493 title "Computational Approaches for Target Inference" @default.
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