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Theoretical and Computational Strategies for the Study of the Molecular Imprinting Process and Polymer Performance
Uppsala University, Disciplinary Domain of Science and Technology, Chemistry, Department of Chemistry - BMC. Linnaeus Univ, Bioorgan & Biophys Chem Lab, Ctr Biomat Chem, Dept Chem & Biomed, S-39182 Kalmar, Sweden..
Linnaeus Univ, Bioorgan & Biophys Chem Lab, Ctr Biomat Chem, Dept Chem & Biomed, S-39182 Kalmar, Sweden..
Linnaeus Univ, Bioorgan & Biophys Chem Lab, Ctr Biomat Chem, Dept Chem & Biomed, S-39182 Kalmar, Sweden..
Linnaeus Univ, Bioorgan & Biophys Chem Lab, Ctr Biomat Chem, Dept Chem & Biomed, S-39182 Kalmar, Sweden..
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2015 (English)In: Molecularly Imprinted Polymers In Biotechnology, Cham, Switzerland: Springer, 2015, 25-50 p.Chapter in book (Refereed)
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Text
Abstract [en]

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.

Place, publisher, year, edition, pages
Cham, Switzerland: Springer, 2015. 25-50 p.
Series
Advances in Biochemical Engineering-Biotechnology, ISSN 0724-6145 ; 150
Keyword [en]
Chemometrics, Molecular dynamics, Molecular imprinting, Multivariate statistical analyses, Quantum mechanics, Rational design
National Category
Organic Chemistry Polymer Chemistry
Identifiers
URN: urn:nbn:se:uu:diva-270003DOI: 10.1007/10_2015_318ISI: 000365222300003PubMedID: 25786710ISBN: 978-3-319-20729-2; 978-3-319-20728-5 OAI: oai:DiVA.org:uu-270003DiVA: diva2:885574
Available from: 2015-12-19 Created: 2015-12-19 Last updated: 2016-02-09Bibliographically approved

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Nicholls, Ian A.

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