Computer simulations of antioxidant, antimicrobial and anticarcinogenic potentials of functional food supplements.

Computer-based treatment planning.

Computer simulations of microwave chemistry.

Development of electrochromic devices.

Computer Simulations with Molecular Modelling

• Content: Molecular models and computer simulation; Quantum-mechanical models – prediction of the reaction rate constant; Classical models – prediction of chemical equilibrium constant; Implicit and explicit solvent models – solubility prediction
• Duration: 1 Day
• Who is this training designed for: Planners, developers and R&D specialists

• Žito d.o.o.
• Medex d.o.o.
• Etol d.o.o.
• Jata-Emona d.o.o.
• Panvita d.d.
• Tanin Sevnica d.d.
• Ljubljanske mlekarne d.o.o.
• Mlekarna Celeia d.d.
• Valens int d.o.o.
• AMBA Co d.o.o.
• Droga Kolinska d.d.
• Sanofarm d.o.o.
• Krka d.d.

Ljubljanske mlekarne: Molecular Simulations of Functional Nutritional Supplements

Žito, Etol, Medex: Development of functional foods of the future (Food for Future F4F)

Panvita in Jata-Emona: Elimination of antibiotics from the food chain (AB FREE)

Krka: Development of columns for affinity chromatography

Sanofarm- Resveratrol: Antioxidant, antimicrobial and anticarcinogenic effects

Tanin Sevnica: Tannin extracts as functional food and feed additives; The healing effects of rosemary extracts; Antioxidant, antimicrobial and anticarcinogenic agents of hop extracts

• Curk T., Brackley C. A., Farrell J. D., Zhongyang X., Joshi D., Direito S., Bren U., Angioletti-Uberti S., Dobnikar J., Eiser E., Frenkel D. and Rosalind J. A. (2020): Computational design of probes to detect bacterial genomes by multivalent binding.
• Rozman M., Gaberšček M., Marolt G., Bren U. and Lukšič M. (2019). An inverted sandwich electrochromic device architecture does not require optically transparent electrodes.
• Hostnik G., Gladović M. and Bren U. (2019). Tannin basic building blocks as potential scavengers of chemical carcinogens : a computational study.
• Furlan V., Konc J. and Bren U. (2018): Inverse molecular docking as a novel approach to study anticarcinogenic and anti-neuroinflammatory effects of curcumin.
• Udommaneethanakit T., Rungrotmongkol T., Frecer V., Senci P., Staniclav M. and Bren U. (2014): Drugs against avian influenza A virus : design of novel sulfonate inhibitors of neuraminidase N1.

Electrochromic cell consisting of two opaque electrodes and an electrolyte carrier with added electrochromic dye / Elektrokromna celica, sestavljena iz dveh neprosojnih elektrod ter nosilca elektrolita z dodanim elektrokromnim barvilom : patent SI 25127 A, 2017-07-31. Ljubljana: Urad RS za intelektualno lastnino, 2017. 21 str., 5 str. pril., ilustr. patentna družina: Št. prijave: 201500168, 2016-01-20

Process for the preparation of key intermediates for the synthesis of statins or pharmaceutically acceptable salts thereof : international publication number: EP 2 598 484 (B1) : date of patent: June 29, 2016. München: European Patent Office, 2016. 88 str.

• Computer simulations of antioxidant, antimicrobial and anticarcinogenic potentials of functional food supplements
• Computer-based treatment planning
• Computer simulations of microwave chemistry
• Development of electrochromic devices