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Application of ESMACS binding free energy protocols to diverse datasets: Bromodomain-containing protein 4
As the application of computational methods in drug discovery pipelines becomes more widespread it is increasingly important to understand how reproducible their results are and how sensitive they are to choices made in simulation setup and analysis. Here we use ensemble simulation protocols, termed...
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| Publicado no: | Sci Rep |
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| Main Authors: | , , , , , |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
Nature Publishing Group UK
2019
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC6461631/ https://ncbi.nlm.nih.gov/pubmed/30979914 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1038/s41598-019-41758-1 |
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