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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...
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| 出版年: | Mol Divers |
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| 主要な著者: | , , , , , |
| フォーマット: | Artigo |
| 言語: | Inglês |
| 出版事項: |
Springer International Publishing
2018
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| 主題: | |
| オンライン･アクセス: | 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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