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virtual screening
(5)
velpatasvir
(2)
molecular modelling
(2)
ledipasvir
(2)
drug repurpose
(2)
antiviral
(2)
COVID-19
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tyrosine kinase inhibitors (TKIs)
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transfer learning
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marine natural product
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(5)
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2021
(1)
2020
(3)
2014
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Leibniz-Institut für Molekulare Pharmakologie
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5 Treffer
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Operations
AI-Based Drug Discovery of TKIs Targeting L858R/T790M/C797S-Mutant EGFR in Non-small Cell Lung Cancer
2021 .
Choi, Geunho
|
Kim, Daegeun
|
Oh, Junehwan
2021
http://purl.org/ontology/bibo/Article
Prediction of the SARS-CoV-2 (2019-nCoV) 3C-like protease (3CLpro) structure: virtual screening reveals velpatasvir, ledipasvir, and other drug repurposing candidates
2020 .
Chen, Yu Wai
|
Yiu, Chin-Pang
|
Wong, , Kwok-Yin
2020
http://purl.org/ontology/bibo/Article
Putative Inhibitors of SARS-CoV-2 Main Protease from A Library of Marine Natural Products: A Virtual Screening and Molecular Modeling Study
2020 .
Gentile, Davide
|
Patamia, Vincenzo
|
Scala, Angela
|
Sciortino, Maria Teresa
|
Piperno, Anna
|
Rescifina, Antonio
2020
http://purl.org/ontology/bibo/Article
Prediction of the SARS-CoV-2 (2019-nCoV) 3C-like protease (3CL (pro)) structure: virtual screening reveals velpatasvir, ledipasvir, and other drug repurposing candidates
2020 .
Chen, Yu Wai
|
Yiu, Chin-Pang
|
Wong, Kwok-Yin
2020
http://purl.org/ontology/bibo/Article
Discovery of N-[4-(1H-Pyrazolo[3,4-b]pyrazin-6-yl)-phenyl]-sulfonamides as Highly Active and Selective SGK1 Inhibitors
2014 .
Halland, Nis
|
Schmidt, Friedemann
|
Weiss, Tilo
|
Saas, Joachim
|
Li, Ziyu
|
Czech, Jörg
|
Dreyer, Matthias
|
Hofmeister, Armin
|
Mertsch, Katharina
|
Dietz, Uwe
|
Strübing, Carsten
|
Nazare, Marc
2014
http://purl.org/ontology/bibo/Article