Cargando…
Drug–target affinity prediction using graph neural network and contact maps
Computer-aided drug design uses high-performance computers to simulate the tasks in drug design, which is a promising research area. Drug–target affinity (DTA) prediction is the most important step of computer-aided drug design, which could speed up drug development and reduce resource consumption....
| Autores principales: | , , , , , , |
|---|---|
| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
The Royal Society of Chemistry
2020
|
| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9054320/ https://www.ncbi.nlm.nih.gov/pubmed/35517730 http://dx.doi.org/10.1039/d0ra02297g |