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- W1991483463 abstract "Structured-based drug design has traditionally relied on a single receptor structure as a target for docking and screening studies. However, it has become increasingly clear that in many cases where protein flexibility is an issue, it is critical to accurately model ligand-induced receptor movement in order to obtain high enrichment factors. We present a novel protein-ligand docking method that accounts for both ligand and receptor flexibility and accurately predicts the conformation of protein-ligand binding complexes. This method can generate viable receptor ensembles that can be used in virtual database screens." @default.
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- W1991483463 date "2006-01-01" @default.
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- W1991483463 title "Use of an Induced Fit Receptor Structure in Virtual Screening" @default.
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- W1991483463 doi "https://doi.org/10.1111/j.1747-0285.2005.00327.x" @default.
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