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Training a Scoring Function for the Alignment of Small Molecules
[Image: see text] A comprehensive data set of aligned ligands with highly similar binding pockets from the Protein Data Bank has been built. Based on this data set, a scoring function for recognizing good alignment poses for small molecules has been developed. This function is based on atoms and hyd...
| Autores principales: | , |
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| Formato: | Texto |
| Lenguaje: | English |
| Publicado: |
American Chemical Society
2010
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2946173/ https://www.ncbi.nlm.nih.gov/pubmed/20831240 http://dx.doi.org/10.1021/ci100227h |