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Applying DEKOIS 2.0 in structure-based virtual screening to probe the impact of preparation procedures and score normalization
BACKGROUND: Structure-based virtual screening techniques can help to identify new lead structures and complement other screening approaches in drug discovery. Prior to docking, the data (protein crystal structures and ligands) should be prepared with great attention to molecular and chemical details...
| Autores principales: | , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
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Springer International Publishing
2015
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4450982/ https://www.ncbi.nlm.nih.gov/pubmed/26034510 http://dx.doi.org/10.1186/s13321-015-0074-6 |