1. Evaluation of firefly and Renilla luciferase inhibition in reporter-gene assaysMaša Kenda, Jan Vegelj, Barbara Herlah, Andrej Perdih, Přemysl Mladěnka, Marija Sollner Dolenc, 2021, original scientific article Keywords: isoflavonoids, firefly luciferase, Renilla luciferase, inhibition, quantitative structure–activity relationships, molecular docking, reporter-gene assay, OECD test guidelines, alternative methods
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3. Stereoselective activity of 1-propargyl-4-styrylpiperidine-like analogues that can discriminate between monoamine oxidase isoforms A and BDamijan Knez, Natalia Colettis, Luca G. Iacovino, Matej Sova, Anja Pišlar, Janez Konc, Samo Lešnik, Josefina Higgs, Fabiola Kamecki, Irene Mangialavori, Ana Dolšak, Simon Žakelj, Jurij Trontelj, Janko Kos, Claudia Binda, Nora Marder Mariel, Stanislav Gobec, 2020, original scientific article Keywords: binding energy, ethyl groups, inhibition, inhibitors, molecular structure
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4. Database independent automated structure elucidation of organic molecules based on IR, $^1$H NMR, $^{13}$C NMR, and MS dataMatevž Pesek, Andraž Juvan, Jure Jakoš, Janez Košmrlj, Matija Marolt, Martin Gazvoda, 2021, original scientific article Keywords: algorithm, organic molecules, infrared spectroscopy, molecular structure, nuclear magnetic resonance spectroscopy, carbon, infrared light
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5. On the effects of different trans and cis populations in azobenzene liquid crystal elastomers: a Monte Carlo investigationGregor Skačej, Lara Querciagrossa, Claudio Zannoni, 2023, original scientific article Keywords: liquid crystal elastomers, azobenzene, physical chemistry, actuation, Gay−Berne potential, Monte Carlo simulations, liquid chromatography, molecular structure, order, stress
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6. Catalytic photoredox C–H arylation of 4-oxo-4H-pyrido[1,2-a]pyrimidine-3-diazonium tetrafluoroborates and related heteroaryl diazonium saltsKris Antolinc, Helena Brodnik, Uroš Grošelj, Bogdan Štefane, Nejc Petek, Jurij Svete, 2023, original scientific article Keywords: quinolizines, pyrido[1, 2-a]pyrimidines, thiazolo[3, 2-a]pyrimidines, photoredox catalysis, arylation, cross-coupling, chemical reactions, mixtures, molecular structure, salts
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7. Estimation of peptide helicity from circular dichroism using the ensemble modelUroš Zavrtanik, Jurij Lah, San Hadži, 2024, original scientific article Keywords: circular dichroism, helix-coil transition, Lifson-Roig model, helix ellipticity, polylanine alpha-helix folding thermodynamics, Markov modeling, molecular structure, optical properties, peptides, proteins, spectroscopy
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8. Small-Molecule Galectin Ligands: Structure-Based Optimisation of Affinity and SelectivitySjors Van Klaveren, 2024, doctoral dissertation Keywords: Galectins, ligands, inhibitors, drug discovery, molecular dynamics simulations, virtual screening, docking studies, structure-activity relationship, X-ray crystallography.
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9. Structural biologyOlivero Carugo, Kristina Djinović Carugo, 2023, other scientific articles Keywords: structural biology, protein structure prediction, protein structure, molecular structure, protein structure determination, macromolecules, protein structure databases, crystal structure, structural proteins
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10. The mysteries of DNA preservation in boneTamara Leskovar, Ivan Jerman, Irena Zupanič-Pajnič, 2024, original scientific article Keywords: ATR-FTIR spectroscopy, DNA preservation, metacarpals, molecular structure, petrous bone, soft tissue remnants
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