Molecular Dynamics Simulation Study of the Selectivity of a Silica Polymer for Ibuprofen

In the past few years, the sol-gel polycondensation technique has been increasingly employed with great success as an alternative approach to the preparation of molecularly imprinted materials (MIMs). The main aim of this study was to study, through a series of molecular dynamics (MD) simulations, t...

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Bibliographic Details
Main Authors: Concu, Riccardo, Cordeiro, M. Natalia D. S.
Format: Online
Language:English
Published: MDPI 2016
Online Access:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4964459/