IFD-MD

IFD-MD is a powerful GPU-accelerated solution for predicting receptor-ligand binding poses at an accuracy approaching experimental methods, but at a reduced cost and faster turnaround. Using IFD-MD in combination with FEP+ for validation allows a full in silico method for deploying high precision structure-based drug discovery starting from homology models, AlphaFold structures, or from experimental structures bound to unrelated chemical matter.

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