| Title: | Comparative simulative analysis and design of single-chain self-assembled protein cages |
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| Authors: | ID Xiao, Fei (Author)
ID Luo, Longfei (Author)
ID Liu, Xin (Author)
ID Ljubetič, Ajasja (Author)
ID Jin, Nengzhi (Author)
ID Jerala, Roman (Author)
ID Hu, Guang (Author) |
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| Files: |  URL - Source URL, visit https://pubs.acs.org/doi/full/10.1021/acs.jpcb.4c01957
 PDF - Presentation file. (2,23 MB, This file will be accessible after 04.07.2025)
MD5: 54C6D70FBEC5796B7BC08A1BABDED5DB
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| Language: | English |
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| Typology: | 1.01 - Original Scientific Article |
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| Organization: |  KI - National Institute of Chemistry
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| Abstract: | Coiled-coil protein origami (CCPO) is a modular strategy for the de novo design of polypeptide nanostructures. It represents a type of modular design based on pairwise-interacting coiled-coil (CC) units with a single-chain protein programmed to fold into a polyhedral cage. However, the mechanisms underlying the self-assembly of the protein tetrahedron are still not fully understood. In the present study, 18 CCPO cages with three different topologies were modeled in silico. Then, molecular dynamics simulations and CC parameters were calculated to characterize the dynamic properties of protein tetrahedral cages at both the local and global levels. Furthermore, a deformed CC unit was redesigned, and the stability of the new cage was significantly improved. |
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| Keywords: | chemical structure, conformation, genetics oligomers stability |
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| Publication status: | Published |
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| Publication version: | Author Accepted Manuscript |
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| Publication date: | 01.01.2024 |
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| Publisher: | American Chemical Society |
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| Year of publishing: | 2024 |
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| Number of pages: | str. 6272-6282 |
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| Numbering: | Vol. 128, iss. 26 |
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| Source: | The Journal of Physical Chemistry B |
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| PID: | 20.500.12556/DiRROS-20507  |
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| UDC: | 577 |
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| ISSN on article: | 1520-5207 |
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| DOI: | 10.1021/acs.jpcb.4c01957 |
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| COBISS.SI-ID: | 208525059 |
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| Copyright: | © 2024 American Chemical Society |
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| Note: | Nasl. z nasl. zaslona;
Opis vira z dne 23. 9. 2024 ;
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| Publication date in DiRROS: | 03.10.2024 |
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| Views: | 189 |
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| Downloads: | 50 |
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