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Beads for triazine
- marquez
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2 years 5 months ago #9217
by marquez
Beads for triazine was created by marquez
Dear MARTINI developers
I'd like to ask you if there is some bead that can represent a triazine chemical group. This group is pretty common in click chemistry for dendrimers.
Thanks a lot
I'd like to ask you if there is some bead that can represent a triazine chemical group. This group is pretty common in click chemistry for dendrimers.
Thanks a lot
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- siewert
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2 years 5 months ago #9237
by siewert
Replied by siewert on topic Beads for triazine
The best model would be a triangle (as benzene) with T-particles.
In this case, the TN6a type seems appropriate, which is used to model the same fragment in pyridine.
See the small-molecule paper: 10.33774/chemrxiv-2021-1qmq9
(currently in press at Adv. Theory & Simulations)
In this case, the TN6a type seems appropriate, which is used to model the same fragment in pyridine.
See the small-molecule paper: 10.33774/chemrxiv-2021-1qmq9
(currently in press at Adv. Theory & Simulations)
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