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Discriminating agonist and antagonist ligands of the nuclear receptors using 3D-pharmacophores
Nuclear receptors (NRs) constitute an important class of therapeutic targets. We evaluated the performance of 3D structure-based and ligand-based pharmacophore models in predicting the pharmacological profile of NRs ligands using the NRLiSt BDB database. We could generate selective pharmacophores fo...
Autores principales: | , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
Springer International Publishing
2016
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5011875/ https://www.ncbi.nlm.nih.gov/pubmed/27602059 http://dx.doi.org/10.1186/s13321-016-0154-2 |