Computational prediction of hERG blockers using homology modelling, molecular docking and QuaSAR studies
A full-length three-dimensional structure of the tetrameric potassium ion channel (hERG Kv11.1) including the N- and C-terminal domains was built, with a diameter of 6 Å and 12 Å between the K + selectivity filter and the pore cavity residue Tyr652 of opposite subunits. Further docking studies with...
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| Format: | Article |
| Language: | English |
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Elsevier
2021-01-01
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| Series: | Results in Chemistry |
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| Online Access: | http://www.sciencedirect.com/science/article/pii/S2211715621000060 |