1. Mechanisms of single-walled carbon nanotube network formation and its configuration in polymer-based nanocompositesAlen Oseli, Alenka Vesel, Ema Žagar, Lidija Slemenik Perše, 2021, original scientific article Keywords: nanocomposites, single-walled carbon nanotubes, network formation, molecular dynamics, Doi-Edwards theory Full text (file, 14,83 MB) This document has more files! More... |
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6. Continuum modeling and simulation of fluids at nanoscaleAleksandar Popadić, 2018, doctoral dissertation Keywords: fullerenes, carbon nanotubes, polymer melts, computational fluid dynamics, finite volume method, partial slip, molecular dynamics, Monte Carlo Full text (file, 8,10 MB) |
7. Inhibitory potential of boscalid and abamectin towards acetylcholinesterase and butyrylcholinesteraseBiljana Arsić, Stefan Petrović, Budimir S. Ilić, Milka Vrecl, Tomaž Trobec, Kristina Sepčić, Robert Frangež, Sanja Glisić, Jelena S. Milićević, 2025, original scientific article Keywords: cholinesterases, enzyme inhibition, pesticides, electron-ion interaction potential, molecular docking, molecular dynamics simulations Full text (file, 905,05 KB) This document has more files! More... |
8. Interparticle interactions in aqueous solutions of globular proteinsSandi Brudar, 2020, doctoral dissertation Keywords: lysozyme, globular proteins, protein-protein interactions, cloud point temperature, phase stability, amyloid fibrils, buffer-specific effects, molecular dynamics, expression of proteins Full text (file, 180,70 MB) |
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10. Discovery of novel Hsp90 C-terminal inhibitors using 3D-pharmacophores derived from molecular dynamics simulationsTihomir Tomašič, Martina Durcik, Bradley M. Keegan, Darja Gramec, Živa Zajec, Brian S. J. Blagg, Sharon D. Bryant, 2020, original scientific article Keywords: allosteric, cancer, Hsp90, inhibitor, molecular dynamics, pharmacophores, virtual screening Full text (file, 7,84 MB) This document has more files! More... |