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Ligand-based virtual screening

Ligand-based virtual screening does not utilize the 3D structure of the target when searching for new hits. Instead, it is based on the structure of a reference ligand (endogenous ligand, known inhibitor, etc.) that binds to a target and/or exhibits some beneficial effect. In ligand-based virtual screening, compounds are typically ranked based on the similarity to the reference ligand (query).

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usecaseligbased.1381308033.txt.gz · Last modified: 2013/10/09 08:40 by rkiss