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CG mapping of a rosette nanotube
- karra.v
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4 years 2 months ago #8438
by karra.v
CG mapping of a rosette nanotube was created by karra.v
Hi,
I'm trying to create a Martini CG version of the rosette nanotubes ( www.pnas.org/content/99/suppl_2/6487 where the R is a methyl group, and there is another methyl group attached to the N in the N-HA side chain). I've been able to get the methylated G^C motif martinized using the DNA version and I have a plausible structure. To map the nanotube structure bonded parameters, I need to get the CG rosette ring structure, which would be 6 G^C motifs arranged in a hexagon, with hydrogen bonds keeping the ring structure stable.
I'm unsure how to get that rosette ring structure in CG. I've tried to do some geometry to rotate the CG G^C motifs, but that didn't really work. Is there an easier way to get the CG rosette ring structure?
Thanks!
Vy
I'm trying to create a Martini CG version of the rosette nanotubes ( www.pnas.org/content/99/suppl_2/6487 where the R is a methyl group, and there is another methyl group attached to the N in the N-HA side chain). I've been able to get the methylated G^C motif martinized using the DNA version and I have a plausible structure. To map the nanotube structure bonded parameters, I need to get the CG rosette ring structure, which would be 6 G^C motifs arranged in a hexagon, with hydrogen bonds keeping the ring structure stable.
I'm unsure how to get that rosette ring structure in CG. I've tried to do some geometry to rotate the CG G^C motifs, but that didn't really work. Is there an easier way to get the CG rosette ring structure?
Thanks!
Vy
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