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Molecular Informatics|December 20, 2023
Targeting of essential mycobacterial replication enzyme DnaG primase revealed Mitoxantrone and Vapreotide as novel mycobacterial growth inhibitorsWaseem Ali, Salma Jamal, Rishabh Gangwar, et al.
Molecular Informatics|June 10, 2024
Structural analysis of neomycin B and kanamycin A binding Aminoglycosides Modifying Enzymes (AME) and bacterial ribosomal RNAJulia Revillo Imbernon, Jean-Marc Weibel, Eric Ennifar, et al.
Molecular Informatics|June 8, 2024
Prediction of adverse drug reactions due to genetic predisposition using deep neural networksBryan Dafniet, Olivier Taboureau
Molecular Informatics|June 8, 2024
Kinematic analysis of kinases and their oncogenic mutations - Kinases and their mutation kinematic analysisXiyu Chen, Sigrid Leyendecker
Molecular Informatics|July 9, 2024
Chemical space exploration with Molpher: Generating and assessing a glucocorticoid receptor ligand libraryM Isabel Agea, Ivan Čmelo, Wim Dehaen, et al.
Molecular Informatics|July 8, 2024
Ensemble docking based virtual screening of SARS-CoV-2 main protease inhibitorsAnastasia D Fomina, Victoria I Uvarova, Liubov I Kozlovskaya, et al.
Molecular Informatics|June 12, 2024
Comparing search algorithms on the retrosynthesis problemMilo Roucairol, Tristan Cazenave
Molecular Informatics|October 6, 2023
HIt Discovery using docking ENriched by GEnerative Modeling (HIDDEN GEM): A novel computational workflow for accelerated virtual screening of ultra-large chemical librariesKonstantin I Popov, James Wellnitz, Travis Maxfield, et al.
Molecular Informatics|March 15, 2018
A Novel/Old Modification of the First Zagreb IndexAkbar Ali, Nenad Trinajstić
Molecular Informatics|January 18, 2019
Chemoinformatic Consideration of Novel Psychoactive Substances: Compilation and Preliminary Analysis of a Categorised DatasetJames W Firman, Samuel J Belfield, George Chen, et al.
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