11. Molecular velocity auto-correlations in glycerol/water mixtures studied by NMR MGSE methodJanez Stepišnik, Carlos Mattea, Siegfried Stapf, Aleš Mohorič, 2020, original scientific article Keywords: molecular dynamics, nuclear magnetic resonance, MGSE method, glycerol/water mixture, NMR, gradient spin-echo, self-diffusion, molecular velocity auto-correlation, shear rate viscosity thickening, protein folding Full text (file, 1,53 MB) This document has more files! More... |
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14. 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 Full text (file, 1,71 MB) This document has more files! More... |
15. Cellular excitability and ns-pulsed electric fieldsLea Rems, Aurianne Rainot, Daniel Wiczew, Natalia Szulc, Mounir Tarek, 2024, original scientific article Keywords: cell membrane, electroporation, lipid oxidation, molecular dynamics simulations, Hodgkin-Huxley models, voltage-gated ion channels Full text (file, 2,85 MB) This document has more files! More... |
16. Identification of electroporation sites in the complex lipid organization of the plasma membraneLea Rems, Xinru Tang, Fangwei Zhao, Sergio Pérez-Conesa, Ilaria Testa, Lucie Delemotte, 2022, original scientific article Keywords: plasma membrane, electric field, pores, molecular dynamics simulation, machine learning, Bayesian survival analysis Full text (file, 3,08 MB) This document has more files! More... |
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18. Surfactin molecules with a cone-like structure promote the formation of membrane domains with negative spontaneous curvature and induce membrane invaginationsŽiga Pandur, Samo Penič, Aleš Iglič, Veronika Kralj-Iglič, David Stopar, Mitja Drab, 2023, original scientific article Keywords: surfactin, lipid membranes, solubilization dynamics, curved membrane nanodomains, molecular shape Full text (file, 4,02 MB) This document has more files! More... |
19. 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. Full text (file, 20,83 MB) |