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...

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Publicado en:Mol Divers
Autores principales: Jastrzębski, Stanisław, Sieradzki, Igor, Leśniak, Damian, Tabor, Jacek, Bojarski, Andrzej J., Podlewska, Sabina
Formato: Artigo
Lenguaje:Inglês
Publicado: Springer International Publishing 2018
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Original Article
Acceso en línea:https://ncbi.nlm.nih.gov/pmc/articles/PMC6682580/
https://ncbi.nlm.nih.gov/pubmed/30484023
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1007/s11030-018-9894-4
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