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. Journal of Chemical Information and Computer Sciences, 60(12):6489-6501, 2020. [doi]
@article{MousaeiKMN20,
title = {Assessing hERG1 Blockade from Bayesian Machine-Learning-Optimized Site Identification by Ligand Competitive Saturation Simulations},
author = {Mahdi Mousaei and Meruyert Kudaibergenova and Alexander D. MacKerell Jr. and Sergei Yu Noskov},
year = {2020},
doi = {10.1021/acs.jcim.0c01065},
url = {https://doi.org/10.1021/acs.jcim.0c01065},
researchr = {https://researchr.org/publication/MousaeiKMN20},
cites = {0},
citedby = {0},
journal = {Journal of Chemical Information and Computer Sciences},
volume = {60},
number = {12},
pages = {6489-6501},
}