Cargando...
Efficient iterative virtual screening with Apache Spark and conformal prediction
BACKGROUND: Docking and scoring large libraries of ligands against target proteins forms the basis of structure-based virtual screening. The problem is trivially parallelizable, and calculations are generally carried out on computer clusters or on large workstations in a brute force manner, by docki...
Gardado en:
| Publicado en: | J Cheminform |
|---|---|
| Main Authors: | , , , , , , |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado: |
Springer International Publishing
2018
|
| Assuntos: | |
| Acceso en liña: | https://ncbi.nlm.nih.gov/pmc/articles/PMC5833896/ https://ncbi.nlm.nih.gov/pubmed/29492726 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1186/s13321-018-0265-z |
| Tags: |
Engadir etiqueta
Sen Etiquetas, Sexa o primeiro en etiquetar este rexistro!
|