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1. Mechanisms of single-walled carbon nanotube network formation and its configuration in polymer-based nanocomposites
Alen Oseli, Alenka Vesel, Ema Žagar, Lidija Slemenik Perše, 2021, izvirni znanstveni članek

Ključne besede: nanocomposites, single-walled carbon nanotubes, network formation, molecular dynamics, Doi-Edwards theory
Celotno besedilo (datoteka, 14,83 MB) Gradivo ima več datotek! Več...

2. The phase diagram of Mercedes Benz model of water using nested sampling algorithm and molecular dynamics simulations
Peter Ogrin, Tomaž Urbič, 2024, izvirni znanstveni članek

Ključne besede: water, Mercedes Benz model, nested sampling, molecular dynamics, phase diagram
Celotno besedilo (datoteka, 1,70 MB) Gradivo ima več datotek! Več...

3. Open molecular dynamics simulations of liquids
Jurij Sablić, 2017, doktorska disertacija

Ključne besede: open boundary molecular dynamics, simulations, fluid dynamics, star polymers, monopolar organic solvents, thiolated organic nanoparticles
Celotno besedilo (datoteka, 8,15 MB)

4. Study of molecular dynamics with oscillating spatial discord of spin phase
Sergej Faletič, 2016, doktorska disertacija

Ključne besede: nuclear magnetic resonance, molecular dynamics, diffusion, porous media, PGSE method, CPMG method
Celotno besedilo (datoteka, 2,33 MB)

5. Multiscale simulation of biomolecular systems
Julija Zavadlav, 2015, doktorska disertacija

Ključne besede: biophysics, molecular dynamics, molecular liquids, biomolecules, DNA, simulations
Celotno besedilo (datoteka, 8,59 MB)

6. Continuum modeling and simulation of fluids at nanoscale
Aleksandar Popadić, 2018, doktorska disertacija

Ključne besede: fullerenes, carbon nanotubes, polymer melts, computational fluid dynamics, finite volume method, partial slip, molecular dynamics, Monte Carlo
Celotno besedilo (datoteka, 8,10 MB)

7. Interparticle interactions in aqueous solutions of globular proteins
Sandi Brudar, 2020, doktorska disertacija

Ključne besede: lysozyme, globular proteins, protein-protein interactions, cloud point temperature, phase stability, amyloid fibrils, buffer-specific effects, molecular dynamics, expression of proteins
Celotno besedilo (datoteka, 180,70 MB)

8. Study of structural dynamics of nuclear receptor PPARγ with molecular dynamics simulations
Filip Cernatič, 2020, magistrsko delo

Ključne besede: nuclear receptor, PPARγ, CDK5, phosphorylation, molecular dynamics
Celotno besedilo (datoteka, 2,48 MB)

9. Discovery of novel Hsp90 C-terminal inhibitors using 3D-pharmacophores derived from molecular dynamics simulations
Tihomir Tomašič, Martina Durcik, Bradley M. Keegan, Darja Gramec, Živa Zajec, Brian S. J. Blagg, Sharon D. Bryant, 2020, izvirni znanstveni članek

Ključne besede: allosteric, cancer, Hsp90, inhibitor, molecular dynamics, pharmacophores, virtual screening
Celotno besedilo (datoteka, 7,84 MB) Gradivo ima več datotek! Več...

10. Molecular dynamics-derived pharmacophore model explaining the nonselective aspect of K$_V$10.1 pore blockers
Žan Toplak, Franci Merzel, Luis A. Pardo, Lucija Peterlin-Mašič, Tihomir Tomašič, 2021, izvirni znanstveni članek

Ključne besede: cancer, Eag1, hERG, K$_V$10.1 inhibitors, molecular dynamics, pharmacophore
Celotno besedilo (datoteka, 10,02 MB) Gradivo ima več datotek! Več...
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