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11. Enhanced molecular docking Kati 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 |
12. Small-Molecule Galectin Ligands: Structure-Based Optimisation of Affinity and Selectivity Sjors 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. |