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Title:Comparative simulative analysis and design of single-chain self-assembled protein cages
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)
Files:URL URL - Source URL, visit https://pubs.acs.org/doi/full/10.1021/acs.jpcb.4c01957
 
.pdf PDF - Presentation file. (2,23 MB, This file will be accessible after 04.07.2025)
MD5: 54C6D70FBEC5796B7BC08A1BABDED5DB
 
Language:English
Typology:1.01 - Original Scientific Article
Organization:Logo KI - National Institute of Chemistry
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.
Keywords:chemical structure, conformation, genetics oligomers stability
Publication status:Published
Publication version:Author Accepted Manuscript
Publication date:01.01.2024
Publisher:American Chemical Society
Year of publishing:2024
Number of pages:str. 6272-6282
Numbering:Vol. 128, iss. 26
Source:The Journal of Physical Chemistry B
PID:20.500.12556/DiRROS-20507 New window
UDC:577
ISSN on article:1520-5207
DOI:10.1021/acs.jpcb.4c01957 New window
COBISS.SI-ID:208525059 New window
Copyright:© 2024 American Chemical Society
Note:Nasl. z nasl. zaslona; Opis vira z dne 23. 9. 2024 ;
Publication date in DiRROS:03.10.2024
Views:386
Downloads:90
Metadata:XML DC-XML DC-RDF
:
XIAO, Fei, LUO, Longfei, LIU, Xin, LJUBETIČ, Ajasja, JIN, Nengzhi, JERALA, Roman and HU, Guang, 2024, Comparative simulative analysis and design of single-chain self-assembled protein cages. The journal of physical chemistry [online]. 2024. Vol. 128, no. 26, p. 6272–6282. [Accessed 21 April 2025]. DOI 10.1021/acs.jpcb.4c01957. Retrieved from: https://dirros.openscience.si/IzpisGradiva.php?lang=eng&id=20507
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Record is a part of a journal

Title:The journal of physical chemistry
Shortened title:J. phys. chem., B (Online)
Publisher:American Chemical Society
ISSN:1520-5207
COBISS.SI-ID:18984743 New window

Document is financed by a project

Funder:Other - Other funder or multiple funders
Funding programme:National Natural Science Foundation of China
Project number:32271292
Funder:Other - Other funder or multiple funders
Funding programme:National Natural Science Foundation of China
Project number:31872723
Funder:ARIS - Slovenian Research and Innovation Agency
Project number:P4-0176
Name:Sintezna biologija in imunologija
Funder:ARIS - Slovenian Research and Innovation Agency
Project number:J1-4406
Name:CC-Trigger: izpodrivanje proteinskih obvitih vijačnic s pomočjo oprimkov omogoča kinetični nadzor proteinskih sestavov in napredne naprave z več stanji.
Funder:ARIS - Slovenian Research and Innovation Agency
Project number:J1-9173
Name:Načrtovanje hitro odzivne signalne in logične poti na osnovi ortogonalnih proteaz
Funder:ARIS - Slovenian Research and Innovation Agency
Project number:Z4-2657
Name:Načrtovanje fosforilacijske signalne poti v sesalskih celicah
Funder:ARIS - Slovenian Research and Innovation Agency
Project number:N1-0323
Name:Naključni hodec narejenih iz obvitih vijačnic in na novo načrtovanih proteinov
Funder:ARIS - Slovenian Research and Innovation Agency
Project number:N4-0080
Name:Optimizacija sinteznobioloških genskih vezij in reprogramiranja celic s pomočjo mikrofluidike
Funder:EC - European Commission
Funding programme:H2020
Project number:899259
Name:Coiled-coil mediated exonuclease tethering technology for the enhancement of CRISPR gene editing
Acronym:CCedit

Secondary language

Language:Slovenian
Keywords:biokemija, proteini, beljakovine, nanostrukture, dinamične lastnosti


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