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Search for Novel Lead Inhibitors of Yeast Cytochrome bc1, from Drugbank and COCONUT
In this work we introduce a novel filtering and molecular modeling pipeline based on a fingerprint and descriptor similarity procedure, coupled with molecular docking and molecular dynamics (MD), to select potential novel quoinone outside inhibitors (QoI) of cytochrome bc1 with the aim of determinin...
| Autores principales: | , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
MDPI
2021
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8307329/ https://www.ncbi.nlm.nih.gov/pubmed/34299598 http://dx.doi.org/10.3390/molecules26144323 |