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1. Molecular dynamics simulation of poly(methacrylic acid) chains in water
Boštjan Jerman, Črtomir Podlipnik, Ksenija Kogej, 2007, original scientific article

Keywords: fizikalna kemija, raztopine polielektrolitov, polielektrolitske raztopine, vodne raztopine, navidezni molski volumni, konformacija, molekulska dinamika, Monte carlo simulacije, stereoregularna polimetakrilna kislina, ataktična polimetakrilna kislina, sindiotaktična polimetakrilna kislina, PMA, elektroliti, polielektroliti, stereoregular poly(methacrylic acid), isotactic, syndiotactic, molecular dynamics, conformation
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2. Effects of translational and rotational degrees of freedom on the properties of model water
Tomaž Mohorič, Barbara Hribar-Lee, Vojko Vlachy, 2015, original scientific article

Keywords: fizikalna kemija, struktura vode, molekularna dinamika, simulacije, water structure, degrees of freedom, molecular dynamics
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3. MOLSIM
Jurij Reščič, Per Linse, 2015, original scientific article

Keywords: molekularne simulacije, programska oprema, modeli, Monte Carlo simulacija, molekularna dinamika, mejni pogoji, molecular simulation, software, all-atom model, coarse-grained model, Monte Carlo simulation, molecular dynamics, Brownian dynamics, ensembles, boundary conditions, Ewald sum
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4. Effects of translational and rotational degrees of freedom on the hydration of ionic solutes as seen by the popular water models
Tomaž Mohorič, Vojko Vlachy, Urban Bren, 2015, original scientific article

Keywords: ionic hydration, water models, degrees of freedom, molecular dynamics
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5. Open molecular dynamics simulations of liquids
Jurij Sablić, 2017, doctoral dissertation

Keywords: open boundary molecular dynamics, simulations, fluid dynamics, star polymers, monopolar organic solvents, thiolated organic nanoparticles
Full text (file, 8,15 MB)

6. Study of molecular dynamics with oscillating spatial discord of spin phase
Sergej Faletič, 2016, doctoral dissertation

Keywords: nuclear magnetic resonance, molecular dynamics, diffusion, porous media, PGSE method, CPMG method
Full text (file, 2,33 MB)

7. Multiscale simulation of biomolecular systems
Julija Zavadlav, 2015, doctoral dissertation

Keywords: biophysics, molecular dynamics, molecular liquids, biomolecules, DNA, simulations
Full text (file, 8,59 MB)

8. Continuum modeling and simulation of fluids at nanoscale
Aleksandar 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)

9. Interparticle interactions in aqueous solutions of globular proteins
Sandi 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)

10. Study of structural dynamics of nuclear receptor PPARγ with molecular dynamics simulations
Filip Cernatič, 2020, master's thesis/paper

Keywords: nuclear receptor, PPARγ, CDK5, phosphorylation, molecular dynamics
Full text (file, 2,48 MB)
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