Inverse Boltzmann Iterative Multi-Scale Molecular Dynamics Study between Carbon Nanotubes and Amino Acids

Our work uses Iterative Boltzmann Inversion (IBI) to study the coarse-grained interaction between 20 amino acids and the representative carbon nanotube CNT55L3. IBI is a multi-scale simulation method that has attracted the attention of many researchers in recent years. It can effectively modify the...

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Detalles Bibliográficos
Autores principales: Huang, Wanying, Ou, Xinwen, Luo, Junyan
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2022
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9104776/
https://www.ncbi.nlm.nih.gov/pubmed/35566140
http://dx.doi.org/10.3390/molecules27092785

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9104776/
https://www.ncbi.nlm.nih.gov/pubmed/35566140
http://dx.doi.org/10.3390/molecules27092785

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