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- Title
Towards EMIC rational design: setting the molecular simulation toolbox for enantiopure molecularly imprinted catalysts.
- Authors
Jalink, Tessa; Farrand, Tom; Herdes, Carmelo
- Abstract
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. Particular emphasis is given to link statistical mechanics methods to the description of each one of the experimental stages within the catalyst's synthesis, setting a framework for the fundamental study of the emerging field of molecularly imprinted catalysts.
- Subjects
MOLECULAR dynamics; CHIRAL drugs; POROUS polymers; RACEMIC mixtures; MOLECULAR imprinting
- Publication
Chemistry Central Journal, 2016, Vol 10, p1
- ISSN
1752-153X
- Publication type
Article
- DOI
10.1186/s13065-016-0215-7