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Computational Tool for Fast in silico Evaluation of hERG K(+) Channel Affinity
The development of a novel comprehensive approach for the prediction of hERG activity is herein presented. Software Phase has been used to derive a 3D-QSAR model, employing as alignment rule a common pharmacophore built on a subset of 22 highly active compounds (threshold Ki: 50 nM) against hERG K(+...
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| Veröffentlicht in: | Front Chem |
|---|---|
| Hauptverfasser: | , , , , , |
| Format: | Artigo |
| Sprache: | Inglês |
| Veröffentlicht: |
Frontiers Media S.A.
2017
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| Schlagworte: | |
| Online Zugang: | https://ncbi.nlm.nih.gov/pmc/articles/PMC5408157/ https://ncbi.nlm.nih.gov/pubmed/28503546 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.3389/fchem.2017.00007 |
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