Topological effects on capsomer-polyion co-assembly
(2014) In Journal of Chemical Physics 140(24).- Abstract
- On the basis of a T = 1 icosahedral capsid model, the capsomer-polyion co-assembly process has been investigated by molecular dynamics simulations using capsomers with different net charge and charge distribution as well as linear, branched, and hyper-branched polyions. The assembly process was characterized in terms of the time-dependent cluster size probabilities, averaged cluster size, encapsulation efficiency, and polyion extension. The kinetics of the capsid formation displayed a two-step process. The first one comprised adsorption of capsomers on the polyion, driven by their electrostatic attraction, whereas the second one involved a relocation and/or reorientation of adsorbed capsomers, which rate is reduced upon increasing... (More)
- On the basis of a T = 1 icosahedral capsid model, the capsomer-polyion co-assembly process has been investigated by molecular dynamics simulations using capsomers with different net charge and charge distribution as well as linear, branched, and hyper-branched polyions. The assembly process was characterized in terms of the time-dependent cluster size probabilities, averaged cluster size, encapsulation efficiency, and polyion extension. The kinetics of the capsid formation displayed a two-step process. The first one comprised adsorption of capsomers on the polyion, driven by their electrostatic attraction, whereas the second one involved a relocation and/or reorientation of adsorbed capsomers, which rate is reduced upon increasing electrostatic interaction. We found that increased polyion branching facilitated a more rapid encapsulation process towards a higher yield. Moreover, the hyper-branched polyions were entirely encapsulated at all polyion-capsid charge ratios considered. (C) 2014 AIP Publishing LLC. (Less)
Please use this url to cite or link to this publication:
https://lup.lub.lu.se/record/4595858
- author
- Zhang, Ran LU and Linse, Per LU
- organization
- publishing date
- 2014
- type
- Contribution to journal
- publication status
- published
- subject
- in
- Journal of Chemical Physics
- volume
- 140
- issue
- 24
- article number
- 244903
- publisher
- American Institute of Physics (AIP)
- external identifiers
-
- pmid:24985674
- wos:000338634200064
- scopus:84903690876
- pmid:24985674
- ISSN
- 0021-9606
- DOI
- 10.1063/1.4883056
- language
- English
- LU publication?
- yes
- id
- 0750a961-2b72-4783-a629-914c5fdccd1f (old id 4595858)
- date added to LUP
- 2016-04-01 10:21:44
- date last changed
- 2022-03-12 05:01:14
@article{0750a961-2b72-4783-a629-914c5fdccd1f,
abstract = {{On the basis of a T = 1 icosahedral capsid model, the capsomer-polyion co-assembly process has been investigated by molecular dynamics simulations using capsomers with different net charge and charge distribution as well as linear, branched, and hyper-branched polyions. The assembly process was characterized in terms of the time-dependent cluster size probabilities, averaged cluster size, encapsulation efficiency, and polyion extension. The kinetics of the capsid formation displayed a two-step process. The first one comprised adsorption of capsomers on the polyion, driven by their electrostatic attraction, whereas the second one involved a relocation and/or reorientation of adsorbed capsomers, which rate is reduced upon increasing electrostatic interaction. We found that increased polyion branching facilitated a more rapid encapsulation process towards a higher yield. Moreover, the hyper-branched polyions were entirely encapsulated at all polyion-capsid charge ratios considered. (C) 2014 AIP Publishing LLC.}},
author = {{Zhang, Ran and Linse, Per}},
issn = {{0021-9606}},
language = {{eng}},
number = {{24}},
publisher = {{American Institute of Physics (AIP)}},
series = {{Journal of Chemical Physics}},
title = {{Topological effects on capsomer-polyion co-assembly}},
url = {{http://dx.doi.org/10.1063/1.4883056}},
doi = {{10.1063/1.4883056}},
volume = {{140}},
year = {{2014}},
}