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Alfa Chemistry - Chemical Space Docking for drug design

Chemical space docking is a novel approach for virtual screening which allows for handling multiple molecules occurring in combinatorial chemical spaces. Chemical space docking aims to predict actives based on their binding mode after a docking procedure with subsequent scoring of the complexes. Yet the source of the docked molecules is no longer an enumerated library but a combinatorial built-up 'space' of zillions of molecules. Learn more at https://wavefunction.alfa-chemistry.com/services/chemical-space-docking.html