|
|
3. 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, izvirni znanstveni članek Ključne besede: cholinesterases, enzyme inhibition, pesticides, electron-ion interaction potential, molecular docking, molecular dynamics simulations
Celotno besedilo (datoteka, 905,05 KB) Gradivo ima več datotek! Več... |
4. Cellular excitability and ns-pulsed electric fieldsLea Rems, Aurianne Rainot, Daniel Wiczew, Natalia Szulc, Mounir Tarek, 2024, izvirni znanstveni članek Ključne besede: cell membrane, electroporation, lipid oxidation, molecular dynamics simulations, Hodgkin-Huxley models, voltage-gated ion channels
Celotno besedilo (datoteka, 2,85 MB) Gradivo ima več datotek! Več... |
5. 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) |
6. Machine learning heralding a new development phase in molecular dynamics simulationsEva Prašnikar, Martin Ljubič, Andrej Perdih, Jure Borišek, 2024, pregledni znanstveni članek Ključne besede: molecular dynamics simulations, machine learning, deep learning, artificial intelligence
Celotno besedilo (datoteka, 4,40 MB) Gradivo ima več datotek! Več... |
7. Molecular choreographyBarbara Herlah, Matic Pavlin, Andrej Perdih, 2024, izvirni znanstveni članek Ključne besede: type IIA DNA topoisomerase, T-segment, catalytic cycle, molecular simulations, molecular dynamics
Celotno besedilo (datoteka, 10,65 MB) Gradivo ima več datotek! Več... |
8. A method for construction and optimization of lipid nanodisks for molecular dynamics simulationsBor Ivanuš, 2024, magistrsko delo Ključne besede: nanodisks, mimetic peptides, molecular dynamics simulations, all atom, coarse-grain, lipid bilayer, Lipid-protein interactions, apolipoproteins
Celotno besedilo (datoteka, 4,32 MB) |
9. Collective domain motion facilitates water transport in SGLT1Marko Sever, Franci Merzel, 2023, izvirni znanstveni članek Ključne besede: molecular dynamics simulations, SGLT1 protein, transmembrane water transport, diffusion, intrinsic domain motion, principal component analysis
Celotno besedilo (datoteka, 1,33 MB) Gradivo ima več datotek! Več... |
10. Modelling of ultrasonic metafluidsAljaž Draškovič-Bračun, 2025, doktorska disertacija Ključne besede: Acoustic metamaterials, metafluids, discrete oscillators, dynamic density, dynamic compressibility, floppy modes, hybrid molecular dynamics simulations, fictitious fluid, enhanced quasiharmonic analysis.
Celotno besedilo (datoteka, 16,98 MB) |
