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        2. Hotspot mapping

        Hotspot mapping

        How hotspot mapping can accelerate early-phase drug design

        7 March 2022

        In a recent paper in the Journal of Chemical Information and Modeling, authors from the Cambridge Crystallographic Data Centre (CCDC), Exscientia, and Oxford University show how an automated process leveraging “ensemble hotspot maps” can identify key structural differences that contribute to the selectivity of a compound for one protein over another. The amount of structural […]

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