Cargando…
Spresso: an ultrafast compound pre-screening method based on compound decomposition
MOTIVATION: Recently, the number of available protein tertiary structures and compounds has increased. However, structure-based virtual screening is computationally expensive owing to docking simulations. Thus, methods that filter out obviously unnecessary compounds prior to computationally expensiv...
| Autores principales: | , , , , , |
|---|---|
| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
Oxford University Press
2017
|
| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5860314/ https://www.ncbi.nlm.nih.gov/pubmed/28369284 http://dx.doi.org/10.1093/bioinformatics/btx178 |