Abstract
We, theoretically, investigate the effect of ions on the packing and ejection dynamics of flexible and semiflexible polymers from spherical viral capsids. We find that when the polymer charge is less screened, or the Debye length increases (corresponding to a buffer with low concentration of a monovalent salt, such as Na), the packing becomes more difficult and it may stop midway. Ejection, instead, proceeds more easily if the electrostatic screening is small. On the other hand, more screening (corresponding, for example, to the addition of divalent ions such as Mg 2) results in easier packing and slower ejection. We interpret this as resulting from electrostatic forces among the various polymer sections, which can be tuned with the type of salt present in the solution. We also discuss how the DNA structure inside the capsid changes due to screened electrostatic interactions.
| Original language | English |
|---|---|
| Article number | 095101 |
| Journal | Journal of Chemical Physics |
| Volume | 135 |
| Issue number | 9 |
| DOIs | |
| Publication status | Published - Sep 7 2011 |
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ASJC Scopus subject areas
- Physics and Astronomy(all)
- Physical and Theoretical Chemistry
Cite this
Influence of ions on genome packaging and ejection : A molecular dynamics study. / Ali, I.; Marenduzzo, D.
In: Journal of Chemical Physics, Vol. 135, No. 9, 095101, 07.09.2011.Research output: Contribution to journal › Article
}
TY - JOUR
T1 - Influence of ions on genome packaging and ejection
T2 - A molecular dynamics study
AU - Ali, I.
AU - Marenduzzo, D.
PY - 2011/9/7
Y1 - 2011/9/7
N2 - We, theoretically, investigate the effect of ions on the packing and ejection dynamics of flexible and semiflexible polymers from spherical viral capsids. We find that when the polymer charge is less screened, or the Debye length increases (corresponding to a buffer with low concentration of a monovalent salt, such as Na), the packing becomes more difficult and it may stop midway. Ejection, instead, proceeds more easily if the electrostatic screening is small. On the other hand, more screening (corresponding, for example, to the addition of divalent ions such as Mg 2) results in easier packing and slower ejection. We interpret this as resulting from electrostatic forces among the various polymer sections, which can be tuned with the type of salt present in the solution. We also discuss how the DNA structure inside the capsid changes due to screened electrostatic interactions.
AB - We, theoretically, investigate the effect of ions on the packing and ejection dynamics of flexible and semiflexible polymers from spherical viral capsids. We find that when the polymer charge is less screened, or the Debye length increases (corresponding to a buffer with low concentration of a monovalent salt, such as Na), the packing becomes more difficult and it may stop midway. Ejection, instead, proceeds more easily if the electrostatic screening is small. On the other hand, more screening (corresponding, for example, to the addition of divalent ions such as Mg 2) results in easier packing and slower ejection. We interpret this as resulting from electrostatic forces among the various polymer sections, which can be tuned with the type of salt present in the solution. We also discuss how the DNA structure inside the capsid changes due to screened electrostatic interactions.
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UR - http://www.scopus.com/inward/citedby.url?scp=80052796965&partnerID=8YFLogxK
U2 - 10.1063/1.3617416
DO - 10.1063/1.3617416
M3 - Article
C2 - 21913781
AN - SCOPUS:80052796965
VL - 135
JO - Journal of Chemical Physics
JF - Journal of Chemical Physics
SN - 0021-9606
IS - 9
M1 - 095101
ER -