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Effective Protein–Ligand Docking Strategy via Fragment Reuse and a Proof-of-Concept Implementation
[Image: see text] Virtual screening is a commonly used process to search for feasible drug candidates from a huge number of compounds during the early stages of drug design. As the compound database continues to expand to billions of entries or more, there remains an urgent need to accelerate the pr...
| Autores principales: | , , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
American Chemical Society
2022
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9435046/ https://www.ncbi.nlm.nih.gov/pubmed/36061673 http://dx.doi.org/10.1021/acsomega.2c03470 |