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NeuralDock: Rapid and Conformation-Agnostic Docking of Small Molecules
Virtual screening is a cost- and time-effective alternative to traditional high-throughput screening in the drug discovery process. Both virtual screening approaches, structure-based molecular docking and ligand-based cheminformatics, suffer from computational cost, low accuracy, and/or reliance on...
| Autores principales: | , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
Frontiers Media S.A.
2022
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8980736/ https://www.ncbi.nlm.nih.gov/pubmed/35392534 http://dx.doi.org/10.3389/fmolb.2022.867241 |