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Journal of Chemical Information and Modeling|September 1, 2025
Water-Based Pharmacophore Modeling in Kinase Inhibitor Design: A Case Study on Fyn and Lyn Protein KinasesMartin Ljubič, Marija Sollner Dolenc, Jure Borišek, et al.Journal of Biomolecular Structure & Dynamics|October 13, 2020
Molecular recognition of acetylcholinesterase and its subnanomolar reversible inhibitor: a molecular simulations studyMaja Vitorović-Todorović, Ilija Cvijetić, Mire Zloh, et al.Communications Biology|April 22, 2020
Domain sliding of two Staphylococcus aureus N-acetylglucosaminidases enables their substrate-binding prior to its catalysisSara Pintar, Jure Borišek, Aleksandra Usenik, et al.Molecules (Basel, Switzerland)|October 14, 2022
Computational Insights into β-Carboline Inhibition of Monoamine Oxidase AAlja Prah, Tanja Gavranić, Andrej Perdih, et al.Bioorganic & Medicinal Chemistry Letters|January 5, 2010
In silico discovery of 2-amino-4-(2,4-dihydroxyphenyl)thiazoles as novel inhibitors of DNA gyrase BMatjaz Brvar, Andrej Perdih, Marko Oblak, et al.Scientific Reports|October 14, 2016
Development of a one-pot assay for screening and identification of Mur pathway inhibitors in Mycobacterium tuberculosisKandasamy Eniyan, Anuradha Kumar, Geetha Vani Rayasam, et al.Bioorganic & Medicinal Chemistry|June 24, 2014
Benzene-1,3-dicarboxylic acid 2,5-dimethylpyrrole derivatives as multiple inhibitors of bacterial Mur ligases (MurC-MurF)Andrej Perdih, Martina Hrast, Hélène Barreteau, et al.Bioorganic & Medicinal Chemistry Letters|December 3, 2014
Monocyclic 4-amino-6-(phenylamino)-1,3,5-triazines as inhibitors of human DNA topoisomerase IIαBarbara Pogorelčnik, Matjaž Brvar, Irena Zajc, et al.Bioorganic & Medicinal Chemistry|July 18, 2015
4,6-Substituted-1,3,5-triazin-2(1H)-ones as monocyclic catalytic inhibitors of human DNA topoisomerase IIα targeting the ATP binding siteBarbara Pogorelčnik, Matej Janežič, Izidor Sosič, et al.Journal of Chemical Information and Modeling|April 15, 2014
Inhibitor design strategy based on an enzyme structural flexibility: a case of bacterial MurD ligaseAndrej Perdih, Martina Hrast, Hélène Barreteau, et al.Pageof 7