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Discovery of novel TMPRSS2 inhibitors for COVID-19 using in silico fragment-based drug design, molecular docking, molecular dynamics, and quantum mechanics studies.
Inform Med Unlocked. 2022;29:100870. doi: 10.1016/j.imu.2022.100870. Epub 2022 Feb 2.
Inform Med Unlocked. 2022.
PMID: 35128036
Free PMC article.
Identification of novel transmembrane Protease Serine Type 2 drug candidates for COVID-19 using computational studies.
Elbadwi FA, Khairy EA, Alsamani FO, Mahadi MA, Abdalrahman SE, Ahmed ZAM, Elsayed I, Ibraheem W, Alzain AA.
Elbadwi FA, et al. Among authors: alsamani fo.
Inform Med Unlocked. 2021;26:100725. doi: 10.1016/j.imu.2021.100725. Epub 2021 Sep 7.
Inform Med Unlocked. 2021.
PMID: 34514079
Free PMC article.
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