Timeline for How can I determine if there are π-π interactions between an amide and an aromatic ring in a protein?

9 events

when toggle format	what		by	license	comment
Dec 25, 2018 at 13:34	history	edited	orthocresol	CC BY-SA 4.0	Retag in accordance with new recommendations on heterocyclic-compounds and aromatic-compounds https://chemistry.meta.stackexchange.com/a/3925/16683.
Apr 23, 2017 at 11:39	history	edited	orthocresol		edited tags
Apr 21, 2017 at 22:30	history	edited	orthocresol		edited tags; edited tags
Jun 17, 2015 at 16:30	history	edited	user7951	CC BY-SA 3.0	edited title
Jun 17, 2015 at 16:03	comment	added	LordStryker		@LordStryker DFT-D is going to be a much better option here...
May 11, 2012 at 9:22	history	tweeted			twitter.com/#!/StackChemistry/status/200878517083324416
Apr 25, 2012 at 20:48	answer	added	LordStryker		timeline score: 23
Apr 25, 2012 at 20:11	comment	added	LordStryker		You could use the supermolecular approach. Determine the energies for two isolated monomers [E(mon1)] and [E(mon2)] then the energy of the two interacting monomers [E(dimer)]. Then you just do [E(mon1)+E(mon2)]-E(dimer) = E(interaction). Of course you'd have to determine how you wanted to define your monomers. For pi-pi stacking, you'll want to use something better than MP2 most likely as MP2 tends to overbind aromatic dimers by a significant amount. I'd suggest CCSD(T).
Apr 25, 2012 at 20:06	history	asked	Nick T	CC BY-SA 3.0