Chargement en cours...
First-Principles Simulation of Amide and Aromatic Side Chain Ultraviolet Spectroscopy of a Cyclic Dipeptide
By combining time-dependent density functional theory (TDDFT) and molecular dynamics (MD) simulations, we calculate the ultraviolet absorption and circular dichroism (CD) of a cyclic dipeptide, cyclo(L-Pro-D-Tyr), in the 185−300 nm region. The absorption is dominated by the phenol chromophore of tyr...
Enregistré dans:
| Auteurs principaux: | , |
|---|---|
| Format: | Artigo |
| Langue: | Inglês |
| Publié: |
2007
|
| Sujets: | |
| Accès en ligne: | https://ncbi.nlm.nih.gov/pmc/articles/PMC2593116/ https://ncbi.nlm.nih.gov/pubmed/17941619 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/jp075515s |
| Tags: |
Ajouter un tag
Pas de tags, Soyez le premier à ajouter un tag!
|