Cargando…
Large-Scale Docking in the Cloud
[Image: see text] Molecular docking is a pragmatic approach to exploit protein structures for new ligand discovery, but the growing size of available chemical space is increasingly challenging to screen on in-house computer clusters. We have therefore developed AWS-DOCK, a protocol for running UCSF...
| Autores principales: | , |
|---|---|
| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
American Chemical Society
2023
|
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10170500/ https://www.ncbi.nlm.nih.gov/pubmed/37071086 http://dx.doi.org/10.1021/acs.jcim.3c00031 |