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Published in 2020 at "Chinese Journal of Chemical Engineering"
DOI: 10.1016/j.cjche.2020.01.020
Abstract: Abstract Synthesis and characterization of enzyme mimics with characteristic stability and high catalytic efficiency is an interesting field for researchers. Especially, with the development of nanoscience and introducing of Fe3O4 magnetic nanoparticles as peroxidase mimics…
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Keywords:
detection mechanism;
design;
based sensors;
mimic based ... See more keywords
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Published in 2023 at "Journal of Chemical Information and Modeling"
DOI: 10.1021/acs.jcim.2c01620
Abstract: MiMiC is a highly flexible, extremely scalable multiscale modeling framework. It couples the CPMD (quantum mechanics, QM) and GROMACS (molecular mechanics, MM) codes. The code requires preparing separate input files for the two programs with…
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Keywords:
toolkit mimic;
input files;
mimicpy efficient;
mechanics ... See more keywords