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Reference type: Journal
Authors: Olsson GD, Niedergall K, Bach M, Karlsson BCG, Tovar G, Nicholls IA
Article Title: Simulation of imprinted emulsion prepolymerization mixtures.
Publication date: 2015
Journal: Polymer Journal
Volume: 47
Issue: (12)
Page numbers: 827-830.
DOI: 10.1038/pj.2015.63

Abstract: The aim of this study was to develop protocols for and evaluate the use of all-atom full system molecular dynamic (MD) simulations of emulsion systems in the development of molecularly imprinted polymers (MIPs). Here, we report on the first, to the best of our knowledge, use of all-component MD studies to simulate and evaluate MIP miniemulsion prepolymerization mixtures; in this case, the mixtures used in the synthesis of a series of MIP-nanoparticles (MIP-NPs)

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