1. Synthesis, biological evaluation and docking studies of benzoxazoles derived from thymoquinoneUna Glamočlija, Subhash Padhye, Selma Špirtović-Halilović, Amar Osmanović, Elma Veljović, Sunčica Roca, Irena Novaković, Boris Mandić, Iztok Turel, Jakob Kljun, Snežana Trifunović, Emira Kahrović, Sandra Kraljević-Pavelić, Anja Harej, Marko Klobučar, Davorka Završnik, 2018, izvirni znanstveni članek Ključne besede: thymoquinone, benzoxazoles, anticancer activity, antimicrobial activity, western blotting, molecular docking
Celotno besedilo (datoteka, 2,92 MB) Gradivo ima več datotek! Več... |
2. Computational study of drugs targeting nuclear receptorsMaša Kenda, Marija Sollner Dolenc, 2020, izvirni znanstveni članek Ključne besede: endocrine-disrupting chemicals, drugs, databases, nuclear receptors, molecular docking, multidimensional QSAR
Celotno besedilo (datoteka, 1,59 MB) Gradivo ima več datotek! Več... |
3. Structural isomerism and enhanced lipophilicity of pyrithione ligands of organoruthenium(II) complexes increase inhibition on AChE and BuChEJerneja Kladnik, Samuel Ristovski, Jakob Kljun, Andrea Defant, Ines Mancini, Kristina Sepčić, Iztok Turel, 2020, izvirni znanstveni članek Ključne besede: Alzheimer’s disease, acetylcholinesterase, butyrylcholinesterase, cholinesterase inhibitor, molecular docking, organoruthenium(II) complexes, pyrithione derivatives
Celotno besedilo (datoteka, 1,28 MB) Gradivo ima več datotek! Več... |
4. Evaluation of firefly and Renilla luciferase inhibition in reporter-gene assaysMaša Kenda, Jan Vegelj, Barbara Herlah, Andrej Perdih, Přemysl Mladěnka, Marija Sollner Dolenc, 2021, izvirni znanstveni članek Ključne besede: isoflavonoids, firefly luciferase, Renilla luciferase, inhibition, quantitative structure–activity relationships, molecular docking, reporter-gene assay, OECD test guidelines, alternative methods
Celotno besedilo (datoteka, 1,98 MB) Gradivo ima več datotek! Več... |
5. New quinolinone O-GlcNAc transferase inhibitors based on fragment growthMatjaž Weiss, Elena Maria Loi, Maša Sterle, Cyril Balsollier, Tihomir Tomašič, Roland J. Pieters, Martina Gobec, Marko Anderluh, 2021, izvirni znanstveni članek Ključne besede: O-GlcNAc, O-GlcNAc transferase, protein glycosylation, fragments growth, molecular docking
Celotno besedilo (datoteka, 1,37 MB) Gradivo ima več datotek! Več... |
6. CAT-SiteŽan Hafner Petrovski, Barbara Hribar-Lee, Zoran Bosnić, 2022, izvirni znanstveni članek Ključne besede: protein binding site prediction, ligands, molecular docking, machine learning, convolutional neural network
Celotno besedilo (datoteka, 10,33 MB) Gradivo ima več datotek! Več... |
7. Enhanced molecular dockingKati Rozman, An Ghysels, Bogdan Zavalnij, Tanja Kunej, Urban Bren, Dušanka Janežič, Janez Konc, 2024, izvirni znanstveni članek Ključne besede: highest weight k-cliques algorithm, weighted graphs, graph coloring, graph theory, molecular docking, ProBiS-Dock algorithm
Celotno besedilo (datoteka, 3,67 MB) Gradivo ima več datotek! Več... |
8. Small-Molecule Galectin Ligands: Structure-Based Optimisation of Affinity and SelectivitySjors Van Klaveren, 2024, doktorsko delo/naloga Ključne besede: Galectins, ligands, inhibitors, drug discovery, molecular dynamics simulations, virtual screening, docking studies, structure-activity relationship, X-ray crystallography.
Celotno besedilo (datoteka, 20,83 MB) |
