hERG Blockade Prediction by Combining Site Identification by Ligand Competitive Saturation and Physicochemical Properties

The human ether-a-go-go-related gene (hERG) potassium channel is a well-known contributor to drug-induced cardiotoxicity and therefore is an extremely important target when performing safety assessments of drug candidates. Ligand-based approaches in connection with quantitative structure active rela...

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Bibliographic Details
Main Authors: Himanshu Goel, Wenbo Yu, Alexander D. MacKerell
Format: Article
Language:English
Published: MDPI AG 2022-06-01
Series:Chemistry
Subjects:
Online Access:https://www.mdpi.com/2624-8549/4/3/45