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Computational and Experimental Comparison of Molecularly Imprinted Polymers Prepared by Different Functional Monomers—Quantitative Parameters Defined Based on Molecular Dynamics Simulation

Jing Yuan, Ying Gao, Xinzhuo Tian, Wenhao Su, Yuxin Su,Shengli Niu,Xiangying Meng, Tong Jia,Ronghuan Yin, Jianmin Hu

MOLECULES(2024)

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Key words
molecularly imprinted polymers,functional monomers screening,molecular dynamics simulation,effective binding number,maximum hydrogen bond number
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