Cargando...
Accelerating AutoDock4 with GPUs and Gradient-Based Local Search
AutoDock4 is a widely used program for docking small molecules to macromolecular targets. It describes ligand-receptor interactions using a physics-inspired scoring function that has been proven useful in a variety of drug discovery projects. However, compared to more modern and recent software, Aut...
Gardado en:
| Publicado en: | J Chem Theory Comput |
|---|---|
| Main Authors: | , , , , , |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado: |
2021
|
| Assuntos: | |
| Acceso en liña: | https://ncbi.nlm.nih.gov/pmc/articles/PMC8063785/ https://ncbi.nlm.nih.gov/pubmed/33403848 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acs.jctc.0c01006 |
| Tags: |
Engadir etiqueta
Sen Etiquetas, Sexa o primeiro en etiquetar este rexistro!
|