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Development of a model for the rational design of molecular imprinted polymer: Computational approach for combined molecular dynamics/quantum mechanics calculations

https://doi.org/10.1016/j.aca.2009.05.040
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Every reference with a DOI in the deposited reference list resolved to a known work in Crossref or DataCite at the dated check, and none carried a retraction, withdrawal, or removal notice.

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The 31 checked references that resolve
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How to find effective functional monomers for effective molecularly imprinted polymers?
resolves10.1039/b102426b
Recognition of ephedrine enantiomers by molecularly imprinted polymers designed using a computational approach
resolves10.1021/ac010840b
Rational Design of a Polymer Specific for Microcystin-LR Using a Computational Approach
resolves10.1016/j.bios.2004.06.052
Effect of the solvent on recognition properties of molecularly imprinted polymer specific for ochratoxin A
resolves10.1016/j.jconrel.2005.07.016
Controlled release of the herbicide simazine from computationally designed molecularly imprinted polymers
resolves10.1016/j.aca.2005.01.034
Adaptation of the molecular imprinted polymers towards polar environment
resolves10.1016/j.aca.2005.11.068
Computational design and synthesis of molecularly imprinted polymers with high binding capacity for pharmaceutical applications-model case: Adsorbent for abacavir
resolves10.1016/j.bios.2006.08.017
Virtual imprinting as a tool to design efficient MIPs for photosynthesis-inhibiting herbicides
resolves10.1021/ac050525f
Analyzing the Mechanisms of Selectivity in Biomimetic Self-Assemblies via IR and NMR Spectroscopy of Prepolymerization Solutions and Molecular Dynamics Simulations
resolves10.1016/j.aca.2006.06.077
Capturing molecules with templated materials—Analysis and rational design of molecularly imprinted polymers
resolves10.1039/b706258c
Correlated theoretical, spectroscopic and X-ray crystallographic studies of a non-covalent molecularly imprinted polymerisation system
resolves10.1007/s00216-007-1358-0
Investigating the mechanisms of 17β-estradiol imprinting by computational prediction and spectroscopic analysis
resolves10.1016/j.polymer.2005.04.099
Computationally designed monomers and polymers for molecular imprinting of theophylline and its derivatives. Part I
resolves10.1016/j.polymer.2005.05.146
Computationally designed monomers and polymers for molecular imprinting of theophylline—part II
resolves10.1016/j.polymer.2006.09.067
Computationally designed monomers for molecular imprinting of chemical warfare agents – Part V
resolves10.1021/ac0513461
Computational Approach to the Rational Design of Molecularly Imprinted Polymers for Voltammetric Sensing of Homovanillic Acid
resolves10.1016/j.bios.2006.03.027
Computational predictions and experimental affinity distributions for a homovanillic acid molecularly imprinted polymer
resolves10.1039/b212731h
Study properties of molecular imprinting polymer using a computational approach
resolves10.1002/jmr.688
Study on the recognition of templates and their analogues on molecularly imprinted polymer using computational and conformational analysis approaches
resolves10.1016/j.aca.2005.06.009
Theoretical and experimental study of nicotinamide molecularly imprinted polymers with different porogens
resolves10.1016/j.aca.2005.03.032
A computational and experimental investigation of the interaction between the template molecule and the functional monomer used in the molecularly imprinted polymer
resolves10.1016/j.aca.2006.02.057
Predicting the performance of molecularly imprinted polymers: Selective extraction of caffeine by molecularly imprinted solid phase extraction
resolves10.1016/j.bios.2006.06.025
Investigation of the nature of MIP recognition: The development and characterisation of a MIP for Ibuprofen
resolves10.1016/j.aca.2006.08.015
Study of the properties of molecularly imprinted polymers by computational and conformational analysis
resolves10.1016/j.bej.2007.02.023
Selective recognition and large enrichment of dimethoate from tea leaves by molecularly imprinted polymers
resolves10.1016/j.bios.2008.02.023
The requisite level of theory for the computational design of molecularly imprinted silica xerogels
resolves10.1016/j.aca.2008.01.042
Computational design and synthesis of molecular imprinted polymers with high selectivity for removal of aniline from contaminated water
resolves10.1002/jcc.20291
GROMACS: Fast, flexible, and free
resolves10.1016/0263-7855(96)00018-5
VMD: Visual molecular dynamics
resolves10.1016/0009-2614(96)00349-1
Ab initio study of solvated molecules: a new implementation of the polarizable continuum model
resolves10.1021/jp0377073
On the Accuracy of DFT for Describing Hydrogen Bonds:  Dependence on the Bond Directionality
The 2 references without a DOI — listed, not checked
no DOI — not checked10.1016/j.aca.2009.05.040_bib22
no DOI — not checked10.1016/j.aca.2009.05.040_bib29
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