PhD in Physics, Faculty of Science, University of Zagreb, Croatia
Topics: Development of mathematical models for description of flexibility of a metal coordination polyhedron by means of molecular mechanics (MM) method; development of MM force fields for prediction and simulation of structural and thermodynamic properties of transition metal complexes with bioligands (mostly copper(II) amino acid complexes) as isolated systems, in crystalline surroundings, and in aqueous solution. Quantum chemical calculations of physicochemical properties for copper(II) amino acid complexes (conformational analysis, structural properties, energy landcapes, Fermi contact shifts).
Fields of interest
bioinorganic chemistry, theoretical chemistry and biophysics
Chemistry Department, The Technical University of Denmark (in Professor Kjeld Rasmussen’s group, the stipend by the Danish Research Academy) Lyngby, Denmark, 1992-1993
Marković, Marijana; Ramek, Michael; Loher, Claudia; Sabolović, Jasmina. The Important Role of the Hydroxyl Group on the Conformational Adaptability in Bis(L-threoninato)copper(II) Compared to Bis(L-allo-threoninato)copper(II): Quantum Chemical Study. Inorganic Chemistry. 55 (2016) , 15; 7694-7708.
Szalontai, Gábor; Csonka, Róbert; Speier, Gábor; Kaizer József; Sabolović, Jasmina. Solid-State NMR Study of Paramagnetic Bis(alaninato-κ2N, O)copper(II) and Bis(1-amino(cyclo)alkane-1-carboxylato-κ2N, O)copper(II) Complexes : Reflection of Stereoisomerism and Molecular Mobility in 13C and 2H Fast Magic Angle Spinning Spectra. Inorganic Chemistry. 54 (2015) , 10; 4663-4677
Marković, Marijana; Ramek, Michael; Sabolović, Jasmina. Why does the coordination mode of physiological bis(L-histidinato)copper(II) differ in the gas phase, crystal lattice and aqueous solutions? A quantum chemical study. European Journal of Inorganic Chemistry. 17 (2014) , 1; 198-212.
Szalontai, Gábor; Sabolović, Jasmina; Marković, Marijana; Balogh, Szabolcs. Solid-State NMR Characterization of Paramagnetic Bis(L-valinato)copper(II) Stereoisomers – Effect of Conformational Disorder and Molecular Mobility on 13C and 2H Fast Magic-Angle Spinning Spectra. European Journal of Inorganic Chemistry. (2014) , 21; 3330-3340.
Marković, Marijana; Milić, Dalibor; Sabolović, Jasmina. Modeling triple conformational disorder in a new crystal polymorph of cis-aquabis(L-isoleucinato)copper(II). Crystal Growth & Design. 12 (2012) , 8; 4116-4129.
Marković, Marijana; Judaš, Nenad; Sabolović, Jasmina. Combined Experimental and Computational Study of cis-trans Isomerism in Bis(L-valinato)copper(II). Inorganic Chemistry. 50 (2011) , 8; 3632-3644
Sabolović, Jasmina; Gomzi, Vjeran. Structure Prediction of Bis(amino acidato)copper(II) Complexes with a New Force Field for Molecular Modeling. Journal of Chemical Theory and Computation. 5 (2009) , 7; 1940-1954.
Tautermann, Christofer S.; Sabolović, Jasmina; Voegele Andreas F.; Liedl, Klaus R. Mechanism of the Cis-Trans Isomerization of Bis(glycinato)copper(II). The Journal of Physical Chemistry B, 108 (2004) ; 2098-2102.
Sabolović, Jasmina; Tautermann, Christofer S.; Loerting, Thomas; Liedl, Klaus R. Modeling Anhydrous and Aqua Copper(II) Amino Acid Complexes: A New Molecular Mechanics Force Field Parametrization Based on Quantum Chemical Studies and Experimental Crystal Data. Inorganic Chemistry. 42 (2003) , 7; 2268-2279.
Sabolović, Jasmina; Liedl, Klaus R. Why are copper(II) amino acid complexes not planar in their crystal structures? An ab initio and molecular mechanics study. Inorganic Chemistry. 38 (1999) , 12; 2764-2774.