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: Riccardo Concu, M. Natalia D. S. Cordeiro
Format: Article
Language:English
Published: MDPI AG 2016-07-01
Series:International Journal of Molecular Sciences
Subjects:
Online Access:http://www.mdpi.com/1422-0067/17/7/1083