IFD (Induced Fit Docking)
Schrödinger’s Induced Fit Docking (IFD) protocol uses Glide and Prime to induce adjustments in receptor structures, and the Python script that has been developed to automate the process and model induced-fit docking to:
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Generate an accurate complex structure for a ligand known to be active but that cannot be docked in an existing (rigid) structure of the receptor.
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Rescue false negatives (poorly scored true binders) in virtual screening experiments, where instead of screening against a single conformation of the receptor, additional conformations obtained with the induced fit protocol are used.