Can I use Induced Fit Docking for virtual screening?

You could, but rigid receptor docking with SP and/or XP is more appropriate for virtual screening, as these methods do a better job in separating active from inactive compounds. IFD is the superior method in terms of docking accuracy. Also, IFD is substantially slower than rigid docking, and so its application is limited to a smaller number of compounds.

Keywords: IFD, virtual screening, docking accuracy

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