Gramicidin A backbone and side chain dynamics evaluated by molecular dynamics simulations and nuclear magnetic resonance experiments. I: molecular dynamics simulations.
Ingólfsson HI, Li Y, Vostrikov VV, Gu H, Hinton JF, Koeppe RE 2nd, Roux B, Andersen OS.
Ingólfsson HI, et al. Among authors: gu h.
J Phys Chem B. 2011 Jun 9;115(22):7417-26. doi: 10.1021/jp200904d. Epub 2011 May 16.
J Phys Chem B. 2011.
PMID: 21574563
Free PMC article.
To address this question, we undertook a comparative study of nuclear magnetic resonance (NMR) observables predicted by fully atomistic MD simulations on a gA dimer embedded in a sodium dodecyl sulfate (SDS) micelle with measurements of the gA dimer backbone and tryptophan side c …
To address this question, we undertook a comparative study of nuclear magnetic resonance (NMR) observables predicted by fully atomistic MD s …