Version 1
: Received: 19 November 2021 / Approved: 22 November 2021 / Online: 22 November 2021 (14:22:59 CET)
How to cite:
Huang, W.; Jia, H.; Luo, J. Study on Dynamics and Cluster Analysis between Carbon-based Nanoparticles and Amino Acids. Preprints2021, 2021110406. https://doi.org/10.20944/preprints202111.0406.v1
Huang, W.; Jia, H.; Luo, J. Study on Dynamics and Cluster Analysis between Carbon-based Nanoparticles and Amino Acids. Preprints 2021, 2021110406. https://doi.org/10.20944/preprints202111.0406.v1
Huang, W.; Jia, H.; Luo, J. Study on Dynamics and Cluster Analysis between Carbon-based Nanoparticles and Amino Acids. Preprints2021, 2021110406. https://doi.org/10.20944/preprints202111.0406.v1
APA Style
Huang, W., Jia, H., & Luo, J. (2021). Study on Dynamics and Cluster Analysis between Carbon-based Nanoparticles and Amino Acids. Preprints. https://doi.org/10.20944/preprints202111.0406.v1
Chicago/Turabian Style
Huang, W., Haihong Jia and JunYan Luo. 2021 "Study on Dynamics and Cluster Analysis between Carbon-based Nanoparticles and Amino Acids" Preprints. https://doi.org/10.20944/preprints202111.0406.v1
Abstract
We research the interaction between six representative carbon-based nanoparticles (CBNs) and 20 standard amino acids through all-atom molecular dynamics simulations. The six carbon-based nanoparticles are fullerene(C60), CNT55L3, CNT1010L3, CNT1515L3, CNT2020L3, and two-dimensional-graphene(Graphene33). Their curvatures decrease sequentially, and all of CNT are single-walled carbon nanotubes. We have observed that as the curvature of CBNs decreases, the adsorption effect of 20 amino acids with them has an increasing trend. In addition, we also used multi-dimensional clustering to analyze the adsorption effects of 20 amino acids on six carbon-based nanoparticles. We observed that the π-π interaction still plays an extremely important role in the adsorption of amino acids on carbon-based nanoparticles. Individual long-chain amino acids and “Benzene-like” Pro also have a strong adsorption effect with carbon-based nanoparticles.
Keywords
CBNs; amino acids; Molecular dynamics
Subject
Biology and Life Sciences, Biophysics
Copyright:
This is an open access article distributed under the Creative Commons Attribution License which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.
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