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Adv Biochem Eng Biotechnol. 2015;150:25-50. doi: 10.1007/10_2015_318.

Theoretical and Computational Strategies for the Study of the Molecular Imprinting Process and Polymer Performance.

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Bioorganic and Biophysical Chemistry Laboratory, Linnaeus University Centre for Biomaterials Chemistry, Department of Chemistry and Biomedicine, Linnaeus University, 39182, Kalmar, Sweden,


The development of in silico strategies for the study of the molecular imprinting process and the properties of molecularly imprinted materials has been driven by a growing awareness of the inherent complexity of these systems and even by an increased awareness of the potential of these materials for use in a range of application areas. Here we highlight the development of theoretical and computational strategies that are contributing to an improved understanding of the mechanisms underlying molecularly imprinted material synthesis and performance, and even their rational design.

[Indexed for MEDLINE]

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