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A Geometric Deep-Learning Model ‘EquiBind’ the Fastest Computational Molecular Docking Model
MIT researchers have developed a geometric deep-learning model, EquiBind, which is 1,200 times faster than one of the fastest computational molecular docking models currently in use, QuickVina2-W, for effective binding of drug-like substances to proteins. One of the main challenges in drug discovery is to predict the binding properties of a drug-like chemical to a…
