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Towards EMIC rational design: Setting the molecular simulation toolbox for enantiopure molecularly imprinted catalysts

A critical appraisal of the current strategies for the synthesis of enantiopure drugs is presented, along with a systematic background for the computational design of stereoselective porous polymers. These materials aim to achieve the enantiomeric excess of any chiral drug, avoiding the racemic separation. | Towards EMIC rational design Setting the molecular simulation toolbox for enantiopure molecularly imprinted catalysts