1. Discovery of novel small-molecule compounds with selective cytotoxicity for Burkittʼs lymphoma cells using 3D ligand-based virtual screeningMartina Gobec, Izidor Sosič, Boris Brus, Aleš Obreza, Stanislav Gobec, Irena Mlinarič-Raščan, 2014, original scientific article Keywords: Burkittʼs lymphoma, ligand-based, similarity search, selectivity
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2. Improving the chemical selectivity of an electronic nose to TNT, DNT and RDX using machine learningAnton Gradišek, Marion van Midden, Matija Koterle, Vid Prezelj, Drago Strle, Bogdan Štefane, Helena Brodnik Žugelj, Mario Trifković, Ivan Kvasić, Erik Zupanič, Igor Muševič, 2019, original scientific article Keywords: artificial nose, e-nose, electronic nose, detection of explosives, chemical selectivity of e-nose, arrays of sensors, machine learning and sensor arrays
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3. Structure-guided design of D-galactal derivatives with high affinity and selectivity for the galectin-8 n-terminal domainMujtaba Hassan, Floriane Baussière, Samo Guzelj, Anders Sundin, Maria Håkansson, Rebeka Kovačič, Hakon Leffler, Tihomir Tomašič, Marko Anderluh, Žiga Jakopin, 2021, original scientific article Keywords: Galectin-8N, d-galactal, benzimidazole, selectivity, X-ray crystallography, cytokine secretion
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4. Benzimidazole-galactosides bind selectively to the galectin-8 N-terminal domainMujtaba Hassan, Sjors van Klaveren, Maria Håkansson, Carl Diehl, Rebeka Kovačič, Floriane Baussière, Anders Sundin, Jaka Dernovšek, Marko Anderluh, Tihomir Tomašič, Žiga Jakopin, 2021, original scientific article Keywords: benzimidazole, galectin-8N, quinoline, selectivity, molecular dynamics, x-ray crystallography
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