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Reference type: Book Chapter
Authors: Nicholls IA, Chavan S, Golker K, Karlsson BCG, Olsson GD, Rosengren AM, Suriyanarayanan S, Wiklander JG
Publication date: 2015
Chapter title: Theoretical and Computational Strategies for the Study of the Molecular Imprinting Process and Polymer Performance.
Chapter number: 2
Page numbers: 25-50.
DOI: 10.1007/10_2015_318 Alternative URL: http://www.springer.com/978-3-319-20728-5

Book title: Molecularly Imprinted Polymers in Biotechnology
Editors: Mattiasson B, Ye L
Publisher: Springer
City: Berlin,Heidelberg
ISBN: 978-3-319-20728-5
Series title: Advances in Biochemical Engineering/Biotechnology

Abstract: 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
Template and target information: Review - MIP modelling approaches
Author keywords: chemometrics, Molecular dynamics, molecular imprinting, Multivariate statistical analyses, Quantum mechanics, rational design

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