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“Proteins often bind to small molecules. Sometimes that binding behavior is central to the protein’s function: the main role for a given protein can involve binding to particular molecules. For example, signaling transduction in cells often passes messages via the mechanism of a protein binding to another molecule. Other times, the molecule binding to the protein is foreign: possibly a drug we’ve created to manipulate the protein, possibly a toxin that interferes with its function.”

Bharath Ramsundar, Deep Learning for the Life Sciences: Applying Deep Learning to Genomics, Microscopy, Drug Discovery, and More
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