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Three-dimensional descriptors for aminergic GPCRs: dependence on docking conformation and crystal structure
ABSTRACT: Three-dimensional descriptors are often used to search for new biologically active compounds, in both ligand- and structure-based approaches, capturing the spatial orientation of molecules. They frequently constitute an input for machine learning-based predictions of compound activity or q...
| Autores principales: | , , , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
Springer International Publishing
2018
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6682580/ https://www.ncbi.nlm.nih.gov/pubmed/30484023 http://dx.doi.org/10.1007/s11030-018-9894-4 |