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Algorithm selection for protein–ligand docking: strategies and analysis on ACE
The present study investigates the use of algorithm selection for automatically choosing an algorithm for any given protein–ligand docking task. In drug discovery and design process, conceptualizing protein–ligand binding is a major problem. Targeting this problem through computational methods is be...
| Autores principales: | , , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
Nature Publishing Group UK
2023
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10201035/ https://www.ncbi.nlm.nih.gov/pubmed/37217655 http://dx.doi.org/10.1038/s41598-023-35132-5 |