Cargando…
Virtual screening for high affinity guests for synthetic supramolecular receptors
The protein/ligand docking software GOLD, which was originally developed for drug discovery, has been used in a virtual screen to identify small molecules that bind with extremely high affinities (K ≈ 10(7) M(–1)) in the cavity of a cubic coordination cage in water. A scoring function was developed...
| Autores principales: | , , , |
|---|---|
| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
Royal Society of Chemistry
2015
|
| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5489031/ https://www.ncbi.nlm.nih.gov/pubmed/28706666 http://dx.doi.org/10.1039/c5sc00534e |