Muestra la distribución de disciplinas para esta publicación.
Publicaciones WoS (Ediciones: ISSHP, ISTP, AHCI, SSCI, SCI), Scopus, SciELO Chile.
| Indexado |
|
||||||
| DOI | |||||||
| Año | 2010 | ||||||
| Tipo | artículo de investigación |
Citas Totales
Autores Afiliación Chile
Instituciones Chile
% Participación
Internacional
Autores
Afiliación Extranjera
Instituciones
Extranjeras
A theoretical study of the non canonical base pair, Guanine-Guanine (G-G) has been carried out in the frame of molecular orbital theory using density functional theory (DFT). The Becke three parameter hybrid including correlation functional that contains local and non-local terms (B3LYP) was used thoroughly. The 6-31G(d,p) basis set was employed to obtain the optimized geometry and energy of the non-Watson-Crick pair formed between two molecules of guanine. The results compare well with the properties of other base pairs of biological interest. At the DFT level the non-planarity of the pair is evident. The two guanines molecules are bent by ca 12 degrees and buckled. The interaction energy corrected by BSSE is equal to -10.7 kcal / mol, similar to that calculated for other pairs involving bases of nucleic acids.
| Ord. | Autor | Género | Institución - País |
|---|---|---|---|
| CONTRERAS-KODER, JULIO GUILLERMO | Hombre |
Universidad de Concepción - Chile
|
|
| 1 | MADARIAGA, SANDRA TERESA | Mujer |
Universidad Austral de Chile - Chile
|
| 1 | MADARIAGA-HERRERA, SANDRA TERESA | Mujer |
Universidad Austral de Chile - Chile
|
| 2 | CONTRERAS-KODER, JULIO GUILLERMO | Hombre |
Universidad de Concepción - Chile
|
| 2 | GUERRERO-CONTRERAS, JAIME ANTONIO | Hombre |
Universidad de Concepción - Chile
|
| Fuente |
|---|
| Universidad de Concepción |
| Universidad Austral de Chile |
| Direction of Research of Universidad Austral de Chile |