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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...
| Autores principales: | , , , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
Nature Publishing Group UK
2019
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6461631/ https://www.ncbi.nlm.nih.gov/pubmed/30979914 http://dx.doi.org/10.1038/s41598-019-41758-1 |