MIT Researchers Propose DIFFDOCK: A Diffusion Generative Model Tailored to the Task of Molecular Docking

Molecular docking is essential in computational drug design since it allows one to predict the location, orientation, and conformation of a ligand when attached to a target protein and, thus, the potential action of the ligand. In conventional docking methods, an estimation of the accuracy of a proposed structure or posture is made using a […]

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