"Assessing hERG1 Blockade from Bayesian Machine-Learning-Optimized Site ..."

Mahdi Mousaei et al. (2020)

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DOI: 10.1021/ACS.JCIM.0C01065

access: closed

type: Journal Article

metadata version: 2021-09-01

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Mahdi Mousaei, Meruyert Kudaibergenova, Alexander D. MacKerell Jr., Sergei Yu Noskov:
Assessing hERG1 Blockade from Bayesian Machine-Learning-Optimized Site Identification by Ligand Competitive Saturation Simulations. J. Chem. Inf. Model. 60(12): 6489-6501 (2020)

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