Odseki

Raziskujemo povezave med osnovnimi fizikalnimi silami in molekularnimi procesi, kot so zvitje proteinov, hidrofobni efekt, tvorba kompleksov, vezava ligandov, reakcijska kinetika, itd. Razvijamo in uporabljamo širok nabor računskih, eksperimentalnih in teoretičnih metod. Pri tem uporabljamo visoko zmogljive računalniške gruče, vibracijsko in NMR spektroskopijo ter nevtronsko sipanje.

1. GRDADOLNIK, Jože, MERZEL, Franci, AVBELJ, Franc. Origin of
hydrophobicity and enhanced water hydrogen bond strength near purely
hydrophobic solutes. Proceedings of the National Academy of Sciences
of the United States of America, 2017, 114, 2, 322-327.

2. NOČ, Luka, ŠEST, Ervin, KAPUN, Gregor, RUIZ-ZEPEDA, Francisco,
BINYAMIN, Yaniv, MERZEL, Franci, JERMAN, Ivan. High-solar-absorptance
CSP coating characterization and reliability testing with isothermal
and cyclic loads for service-life prediction. Energy & environmental
science, 2019, 12, 1679-1694.

3. PAOLETTI, Francesca, MERZEL, Franci, CASSETTA, Alberto, OGRIS, Iza,
COVACEUSZACH, Sonia, GRDADOLNIK, Jože, LAMBA, Doriano, GOLIČ
GRDADOLNIK, Simona. Endogenous modulators of neurotrophin signaling :
landscape of the transient ATP- NGF interactions. Computational and
Structural Biotechnology Journal, 2021, 19, 2938-2949.

4. ZUPANČIČ, Barbara, GRDADOLNIK, Jože. Solute-induced changes in the
water H-bond network of different alcohol-aqueous systems. Journal of
molecular liquids, 2021, 341, 1-11.

5. NOVAK, Urban, GRDADOLNIK, Jože. Infrared spectra of hydrogen bond
network in lamellar perfluorocarboxylic acid
monohydrates. Spectrochimica acta. Part A, Molecular and biomolecular
spectroscopy, 2021, 253, 119551-1-119551-8.

6. OGRIS, Iza, ZELENKO, Urška, SOSIČ, Izidor, GOBEC, Martina, SKUBIC,
Cene, IVANOV, Marija, SOKOVIC, Marina, KOCJAN, Darko, ROZMAN, Damjana,
GOLIČ GRDADOLNIK, Simona. Pyridylethanol(phenylethyl)amines are
non-azole, highly selective Candida albicans Sterol
14alpha-demethylase inhibitors. Bioorganic chemistry,
2021, 106, 1-15.

7. BADASYAN, Artem, TONOYAN, Sh. A., VALANT, Matjaž, GRDADOLNIK,
Jože. Implicit water model within the Zimm-Bragg approach to analyze
experimental data for heat and cold denaturation of
proteins. Communications chemistry, 2021, 4, 1-8.

8. MERZEL, Franci, AVBELJ, Franc. Why do water molecules around small
hydrophobic solutes form stronger hydrogen bonds than in the
bulk?. Biochimica et biophysica acta (G). General subjects, 2020,
1864, 129537-1-129537-5.

9. KEŽAR, Andreja, KAVČIČ, Luka, PÓLAK, Martin, NOVÁČEK, Jiři,
GUTIÉRREZ-AGUIRRE, Ion, TUŠEK-ŽNIDARIČ, Magda, COLL RIUS, Anna, STARE,
Katja, GRUDEN, Kristina, RAVNIKAR, Maja, PAHOVNIK, David, ŽAGAR, Ema,
MERZEL, Franci, ANDERLUH, Gregor, PODOBNIK, Marjetka. Structural basis
for the multitasking nature of the potato virus Y coat
protein. Science advances, 2019, 5, 1-13.

10. VIŽINTIN, Alen, BITENC, Jan, KOPAČ LAUTAR, Anja, PIRNAT, Klemen,
 GRDADOLNIK, Jože, STARE, Jernej, RANDON-VITANOVA, Anna, DOMINKO,
 Robert. Probing electrochemical reactions in organic cathode
 materials via in operando infrared spectroscopy. Nature
 communications, 2018, 9, 1-7.