Machine Learning in Antibacterial Drug Design von Jukič, Marko, Bren, Urban

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Ensemble Docking Coupled to Linear Interaction Energy Calculations for Identification of Coronavirus Main Protease (3CL(pro)) Non-Covalent Small-Molecule Inhibitors von Jukic, Marko, Janezic, Dusanka, Bren, Urban

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Comparative Analyses of Medicinal Chemistry and Cheminformatics Filters with Accessible Implementation in Konstanz Information Miner (KNIME) von Kralj, Sebastjan, Jukič, Marko, Bren, Urban

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Naive Prediction of Protein Backbone Phi and Psi Dihedral Angles Using Deep Learning von Broz, Matic, Jukič, Marko, Bren, Urban

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Potential Novel Thioether-Amide or Guanidine-Linker Class of SARS-CoV-2 Virus RNA-Dependent RNA Polymerase Inhibitors Identified by High-Throughput Virtual Screening Coupled to Fre... von Jukic, Marko, Janezic, Dusanka, Bren, Urban

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Commercial SARS-CoV-2 Targeted, Protease Inhibitor Focused and Protein-Protein Interaction Inhibitor Focused Molecular Libraries for Virtual Screening and Drug Design von Kralj, Sebastjan, Jukič, Marko, Bren, Urban

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Novel Small-Molecule Inhibitors of the SARS-CoV-2 Spike Protein Binding to Neuropilin 1 von Kolarič, Anja, Jukič, Marko, Bren, Urban

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Neuropilin (NRPs) Related Pathological Conditions and Their Modulators von Broz, Matic, Kolarič, Anja, Jukič, Marko, Bren, Urban

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Antibacterial and β‐Lactamase Inhibitory Activity of Monocyclic β‐Lactams von Decuyper, Lena, Jukič, Marko, Sosič, Izidor, Žula, Aleš, D'hooghe, Matthias, Gobec, Stanislav

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Reaching toward underexplored targets in antibacterial drug design von Jukič, Marko, Gobec, Stanislav, Sova, Matej

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Tryptophan-derived butyrylcholinesterase inhibitors as promising leads against Alzheimer's disease von Meden, AnŽe, Knez, Damijan, Jukič, Marko, Brazzolotto, Xavier, Gršič, Marija, Pišlar, Anja, Zahirović, Abida, Kos, Janko, Nachon, Florian, Svete, Jurij, Gobec, Stanislav, Grošelj, Uroš

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Design of Tetra-Peptide Ligands of Antibody Fc Regions Using In Silico Combinatorial Library Screening von Jukič, Marko, Kralj, Sebastjan, Kolarič, Anja, Bren, Urban

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Multi-target-directed ligands for treating Alzheimer's disease: Butyrylcholinesterase inhibitors displaying antioxidant and neuroprotective activities von Knez, Damijan, Coquelle, Nicolas, Pišlar, Anja, Žakelj, Simon, Jukič, Marko, Sova, Matej, Mravljak, Janez, Nachon, Florian, Brazzolotto, Xavier, Kos, Janko, Colletier, Jacques-Philippe, Gobec, Stanislav

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Mechanistic Insights of Polyphenolic Compounds from Rosemary Bound to Their Protein Targets Obtained by Molecular Dynamics Simulations and Free-Energy Calculations von Lešnik, Samo, Jukič, Marko, Bren, Urban

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Repurposing of Drugs for SARS-CoV-2 Using Inverse Docking Fingerprints von Jukic, Marko, Kores, Katarina, Janezic, Dusanka, Bren, Urban

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N-alkylpiperidine carbamates as potential anti-Alzheimer’s agents von Košak, Urban, Strašek, Nika, Knez, Damijan, Jukič, Marko, Žakelj, Simon, Zahirović, Abida, Pišlar, Anja, Brazzolotto, Xavier, Nachon, Florian, Kos, Janko, Gobec, Stanislav

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Identifying Metal Binding Sites in Proteins Using Homologous Structures, the MADE Approach von Ravnik, Vid, Jukič, Marko, Bren, Urban

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Three-component one-pot synthetic route to 2-amino-5-alkylidene-thiazol-4-ones von Anderluh, Marko, Jukič, Marko, Petrič, Rok

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The Effect of the Ala16Val Mutation on the Secondary Structure of the Manganese Superoxide Dismutase Mitochondrial Targeting Sequence von Broz, Matic, Furlan, Veronika, Lešnik, Samo, Jukič, Marko, Bren, Urban

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Barley in the Production of Cereal-Based Products von Lukinac, Jasmina, Jukić, Marko

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