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Structure-based virtual screening of unbiased and RNA-focused libraries to identify new ligands for the HCV IRES model system†

2024 . Kallert, Elisabeth | Almena Rodriguez, Laura | Husmann, Jan-Åke | Blatt, Kathrin | Kersten, Christian

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

A novel ligand of the translationally controlled tumor protein (TCTP) identified by virtual drug screening for cancer differentiation therapy

2021 . Fischer, Nicolas | Seo, Ean-Jeong | Abdelfatah, Sara | Fleischer, Edmond | Klinger, Anette | Efferth, Thomas

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

Virtual screening of anti-HIV1 compounds against SARS-CoV-2: machine learning modeling, chemoinformatics and molecular dynamics simulation based analysis

2020 . Nand, Mahesha | Maiti, Priyanka | Joshi, Tushar | Chandra, Subhash | Pande, Veena | Kuniyal, Jagdish Chandra | Ramakrishnan, Muthannan Andavar

Virtual Screening of Natural Products against Type II Transmembrane Serine Protease (TMPRSS2), the Priming Agent of Coronavirus 2 (SARS-CoV-2)

2020 . Rahman, Noor | Basharat, Zarrin | Yousuf , Muhammad | Castaldo, Giuseppe | Rastrelli, Luca | Khan, Prof. Dr. Haroon

Identification of a druggable binding pocket in the spike protein reveals a key site for existing drugs potentially capable of combating Covid-19 infectivity

2020 . Drew, Elliot D. | Janes, Robert

Drug repurposing using transcriptome sequencing and virtual drug screening in a patient with glioblastoma

2020 . Saeed, Mohamed E. M. | Kadioglu, Onat | Greten, Henry Johannes | Yildirim, Adem | Mayr, Katharina | Wenz, Frederik | Giordano, Frank A. | Efferth, Thomas

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

Potential Drugs Targeting Early Innate Immune Evasion of SARS-Coronavirus 2 via 2’-O-Methylation of Viral RNA

2020 . Encinar, José Antonio | MENENDEZ, JAVIER

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