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EDock‐ML: A web server for using ensemble docking with machine learning to aid drug discovery
EDock‐ML is a web server that facilitates the use of ensemble docking with machine learning to help decide whether a compound is worthwhile to be considered further in a drug discovery process. Ensemble docking provides an economical way to account for receptor flexibility in molecular docking. Mach...
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| Publicado no: | Protein Sci |
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| Main Authors: | , |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
John Wiley & Sons, Inc.
2021
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC8040857/ https://ncbi.nlm.nih.gov/pubmed/33733530 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1002/pro.4065 |
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