Molecular dynamics simulations of molecularly imprinted polymer approaches to the preparation of selective materials to remove norfloxacin

2015 ◽  
Vol 133 (1) ◽  
pp. n/a-n/a ◽  
Author(s):  
Yu Kong ◽  
Ningwei Wang ◽  
Xiaoni Ni ◽  
Qiyi Yu ◽  
Hong Liu ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Molecularly Imprinted Polymer ◽  
Imprinted Polymer ◽  
Molecularly Imprinted ◽  
Dynamics Simulations

Virtually imprinted polymers (VIPs): understanding molecularly templated materialsviamolecular dynamics simulations

2018 ◽  
Vol 20 (19) ◽  
pp. 13145-13152 ◽  
Author(s):  
S. Zink ◽  
F. A. Moura ◽  
P. Alves da Silva Autreto ◽  
D. S. Galvão ◽  
B. Mizaikoff
Keyword(s):  
Molecular Dynamics ◽  
Theoretical Model ◽  
Molecular Dynamics Simulations ◽  
Molecularly Imprinted Polymers ◽  
Molecularly Imprinted ◽  
Imprinted Polymers ◽  
Dynamics Simulations

Theoretical model of molecularly imprinted polymers based on molecular dynamics simulations.

In silico screening of molecular imprinting prepolymerization systems: oseltamivir selective polymers through full-system molecular dynamics-based studies

2016 ◽  
Vol 14 (18) ◽  
pp. 4210-4219 ◽  
Author(s):  
Siamak Shoravi ◽  
Gustaf D. Olsson ◽  
Björn C. G. Karlsson ◽  
Fredrik Bexborn ◽  
Younes Abghoui ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Molecular Imprinting ◽  
Molecularly Imprinted Polymer ◽  
In Silico ◽  
Imprinted Polymer ◽  
In Silico Screening ◽  
Full System ◽  
Molecularly Imprinted

All-component molecular dynamics studies were used to probe a library of oseltamivir molecularly imprinted polymer prepolymerization mixtures

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