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Theoretical and Computational Strategies for Rational Molecularly Imprinted Polymer Design
University of Kalmar, School of Pure and Applied Natural Sciences. (BBCL)ORCID iD: 0000-0002-0407-6542
University of Kalmar, School of Pure and Applied Natural Sciences. (BBCL)ORCID iD: 0000-0003-1241-8888
University of Kalmar, School of Pure and Applied Natural Sciences.
University of Kalmar, School of Pure and Applied Natural Sciences.
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2009 (English)In: Biosensors & bioelectronics, ISSN 0956-5663, E-ISSN 1873-4235, Vol. 25, no 3, 543-552 p.Article in journal (Refereed) Published
Abstract [en]

The further evolution of molecularly imprinted polymer science and technology necessitates the development of robust predictive tools capable of handling the complexity of molecular imprinting systems. A combination of the rapid growth in computer power over the past decade and significant software developments have opened new possibilities for simulating aspects of the complex molecular imprinting process. We present here a survey of the current status of the use of in silico-based approaches to aspects of molecular imprinting. Finally, we highlight areas where ongoing and future efforts should yield information critical to our understanding of the underlying mechanisms sufficient to permit the rational design of molecularly imprinted polymers. 

Place, publisher, year, edition, pages
2009. Vol. 25, no 3, 543-552 p.
National Category
Organic Chemistry
Research subject
Chemistry, Organic Chemistry
Identifiers
URN: urn:nbn:se:lnu:diva-5118DOI: 10.1016/j.bios.2009.03.038OAI: oai:DiVA.org:lnu-5118DiVA: diva2:315099
Available from: 2010-04-28 Created: 2010-04-28 Last updated: 2017-02-10Bibliographically approved

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Nicholls, Ian A.Andersson, Håkan S.Charlton, ChristyHenschel, HenningKarlsson, Björn C. G.Karlsson, Jesper G.Rosengren, Annika M.Rosengren, K. JohanWikman, Susanne
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