Pregled po projektu: Modeliranje i međudjelovanje kompleksa prijelaznih metala i bioliganada (MB: MZOS-022-0222148-2822)
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1.Szalontai, Gábor; Sabolović, JasminaSSNMR SPECTROSCOPY, CRYSTALLOGRAPHY AND COMPUTATION OF PARAMAGNETIC BIS AMINO ACID (ĸ2N, O) COPPER(II) COMPLEXES. A JOINT APPROACH. // SMARTER6, Book of Abstracts / Krajnc, Andraž ; Čendak, Tomaž ; Mali, Gregor (ur.).
Ljubljana: National Institute of Chemistry, Slovenija, 2018. str. 26-26 (predavanje, međunarodna recenzija, sažetak, znanstveni) -
2.Pejić, Jelena; Vušak, Darko; Szalontai, Gábor; Prugovečki, Biserka; Mrvoš-Sermek, Draginja; Matković-Čalogović, Dubravka; Sabolović, JasminaDisorder at the Chiral Cα Center and Room- Temperature Solid-State cis–trans Isomerization ; Synthesis and Structural Characterization of Copper(II) Complexes with D-allo, L-Isoleucine // Crystal growth & design, 18 (2018), 9; 5138-5154 doi:10.1021/acs.cgd.8b00589 (međunarodna recenzija, članak, znanstveni)
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3.Budimčić, Jelena; Ramek, Michael; Sabolović, JasminaMechanisms of cis-trans isomerization and Cα epimerization of (D-allo, L-isoleucinato)copper(II) // 58th Sanibel Symposium - Final Program / Bartlett, Rodney J. (ur.).
Gainesville (FL): Qunatum Chemistry Project, University of Florida, Gainseville, Sjedinjene Američke Države, 2018. 2018, 1 (predavanje, međunarodna recenzija, sažetak, znanstveni) -
4.Szalontai, Gábor; Csonka, Róbert; Kaizer, József; Bombicz, Petra; Sabolović, Jasmina2 H magic-angle spinning NMR and powder diffraction study of deuterated paramagnetic copper(II) glycinato complexes. Information on crystallographic symmetries, stereo-isomerism, and molecular mobility available from ssNMR spectra // Inorganica chimica acta, 472 (2018), 320-329 doi:10.1016/j.ica.2017.05.071 (međunarodna recenzija, članak, znanstveni)
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5.Budimčić, Jelena, Ramek, Michael; Marković, Marijana; Mutapčić, Ilina; Sabolović, JasminaQuantum chemical study of (L-histidinato)(L-asparaginato)copper(II) in the gas phase and aqueous solution // 17. ÖSTERREICHISCHE CHEMIETAGE 17th Austrian Chemistry Days Joint Meeting of the Swiss & Austrian Chemical Societies - Book of Abstracts / Hüsing, Nicola (ur.).
Salzburg: UNIVERSITY OF SALZBURG, 2017. str. PO-153 (poster, međunarodna recenzija, sažetak, znanstveni) -
6.Loher, Claudia; Marković, Marijana; Ramek, Michael; Mutapčić, Ilina; Sabolović, JasminaComputational study of l-cysteinato-l- asparaginato-copper(II) in gas phase // Experimental Gerontology - Part of special issue: Thirteenth International Symposium on Neurobiology and Neuroendocrinology of Aging / Brown-Borg, Holly ; Borg, Kurt (ur.).
Bregenz, Austrija: Elsevier, 2017. str. 118-119 (poster, međunarodna recenzija, sažetak, znanstveni) -
7.Marković, Marijana; Ramek, Michael; Loher, Claudia; Sabolović, JasminaWeak intramolecular interactions in bis(L- threoninato)copper(II) compared to bis(L-allo- threoninato)copper(II) // 3rd Symposium on Weak Molecular Interactions - Book of Abstracts / Teobald Kupka (ur.).
Opole, 2017. str. 46-47 (ostalo, međunarodna recenzija, sažetak, znanstveni) -
8.Marković, Marijana; Ramek, Michael; Mutapčić, Ilina; Sabolović, JasminaConformational analyses of bis(L-asparaginato)copper(II) in the gas phase and in aqueous solution // 11th Triennial Congress of the World Association of Theoretical and Computational Chemists WATOC 2017, BOOK OF ABSTRACTS WITH SCIENTIFIC PROGRAM / Ochsenfeld, Christian (ur.).
München: Ludwig-Maximilians-Universität (LMU) München, 2017. str. PO2-145 (poster, međunarodna recenzija, sažetak, znanstveni) -
9.Ramek, Michael; Marković, Marijana; Loher, Claudia; Sabolović, JasminaQuantum chemical conformational analyses unveil conformational flexibility of physiological (L-histidinato)(L-threoninato)copper(II) in aqueous solution // 11th Triennial Congress of the World Association of Theoretical and Computational Chemists -WATOC 2017 - BOOK OF ABSTRACTS WITH SCIENTIFIC PROGRAM / Ochsenfeld, Christian (ur.).
München: Ludwig-Maximilians-Universität (LMU) München, 2017. str. PO2-34 (poster, međunarodna recenzija, sažetak, znanstveni) -
10.Sabolović, Jasmina; Ramek, Michael; Marković, MarijanaCalculating the geometry and Raman spectrum of physiological bis(L-histidinato)copper(II): an assessment of DFT functionals for aqueous and isolated systems // Journal of molecular modeling, 23 (2017), 290-1 doi:10.1007/s00894-017-3448-z (međunarodna recenzija, članak, znanstveni)
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11.Ramek, Michael; Marković, Marijana; Loher, Caludia; Sabolović, JasminaPronounced conformational flexibility of physiological (L-histidinato)(L-threoninato)copper(II) in aqueous solution disclosed by a quantum chemical study // Polyhedron, 135 (2017), 121-133 doi:10.1016/j.poly.2017.06.041 (međunarodna recenzija, članak, znanstveni)
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12.Marković, Marijana; Ramek, Michael; Loher, Claudia; Sabolović, JasminaThe 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 doi:10.1021/acs.inorgchem.6b01157 (međunarodna recenzija, članak, znanstveni)
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13.Marković, Marijana; Ramek, Michael; Sabolović, JasminaA density functional theory study of the coordination modes of physiological bis(L-histidinato)copper(II): the importance of intermolecular interactions // 1st International Caparica Christmas Conference on Translational Chemistry - IC3TC 2015 Book of Abstracts / Capelo, Jose L ; Lodeiro, Carlos (ur.).
Caparica: Proteomass (Portugal), 2015. str. 60 (O 6A)-60 (pozvano predavanje, međunarodna recenzija, sažetak, znanstveni) -
14.Marković, Marijana; Ramek, Michael; Loher, Claudia; Sabolović, JasminaQuantum chemical study of bis(L- threoninato)copper(II) in the gas phase and aqueous solution // XI. ISTERH Conference "Recent Advances in Trace Element Research in Health and Disease" (ISTERH 2015) ; abstracts ; u: Journal of Trace Elements in Medicine and Biology 32 (2015) S1-S42 / Jurasović, Jasna ; Aschner, Michael (ur.).
Srebreno, Hrvatska: Elsevier, 2015. str. S24-S24 doi:10.1016/j.jtemb.2015.08.001 (poster, međunarodna recenzija, sažetak, znanstveni) -
15.Marković, Marijana; Ramek, Michael; Sabolović, JasminaA Density Functional Method Study of Physiological bis(L-asparaginato)copper(II) // XIX School of Pure and Applied Biophysics on Theoretical and Computational Approaches to Biophysics
Venecija, Italija, 2015. (poster, neobjavljeni rad, znanstveni) -
16.Szalontai, Gábor; Csonka, Róbert; Speier, Gábor; Kaizerm József; Sabolović, JasminaSolid-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 doi:10.1021/ic502987e (međunarodna recenzija, članak, znanstveni)
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17.Marković, Marijana; Ramek, Michael; Sabolović, JasminaThe Mixed (L-threoninato)(L- asparaginato)copper(II) System - Conformational Analysis of an Isolated Complex // 17th International Workshop on Computational Physics and Materials Science: Total Energy and Force Methods ; Book of Abstracts, Poster Session 2 ;
Trst, 2015. str. 15-15 (poster, međunarodna recenzija, sažetak, znanstveni) -
18.Szalontai, Gábor; Sabolović, Jasmina; Marković, Marijana; Balogh, SzabolcsssNMR Characterization of Paramagnetic Bis(L-valinato)copper(II) Stereoisomers. Effect of Conformational Disorder and Molecular Mobility on 13C and 2H Very-fast MAS Spectra // Central European NMR Meeting 29th NMR Valtice, Book of Abstracts / a (ur.).
Valtice, 2014. str. C-10 (predavanje, međunarodna recenzija, sažetak, znanstveni) -
19.Sabolović Jasmina, Ramek Michael, Marković MarijanaDensity Functional Theory Study for Aqueous Bis(L-histidinato)copper(II) Systems: Validation of the B3LYP vs. M06 Results // WATOC 2014 - 10th Congress of the World Association of Theoretical and Computational Chemists: Program and Book of Abstracts / Gutierrez-Oliva Soledad, Herrera Pisani Barbara, Toro-Labbe Alejandro (ur.).
Santiago: Pontifica Universidad Catolica de Chile, 2014. str. PP253 ; 656-PP253 ; 656 (poster, međunarodna recenzija, sažetak, znanstveni) -
20.Szalontai Gábor, Sabolović JasminassNMR Study of Deuterated Paramagnetic Bis(amino acid)copper(II) Complexes. Information on Crystal Forms, Stereo-isomerism, and Molecular Mobility Available from 2H Fast-MAS Spectra // CEUM 2014 16th Central European NMR Symposium and 16th Central European Bruker NMR Users Meeting Program and Book of Abstracts / Smrečki Vilko, Vikić-Topić Dražen (ur.).
Zagreb: RUĐER BOŠKOVIĆ INSTITUTE, Zagreb, 2014. str. L7-L7 (predavanje, međunarodna recenzija, sažetak, znanstveni) -
21.Tomić, Antonija; Tomić, SanjaHunting the human DPP III active conformation : combined thermodynamic and QM/MM calculations // Dalton transactions, 43 (2014), 15503-15514 doi:10.1039/C4DT02003K (međunarodna recenzija, članak, znanstveni)
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22.Marković, Marijana; Ramek, Michael; Sabolović, JasminaConformational Analysis of Bis(L-asparaginato)copper(II) as an Isolated Complex // 50th Symposium on Theoretical Chemistry STC 2014 Quantum Chemistry and Chemical Dynamics / González, Leticia (ur.).
Beč, 2014. str. P34-P34 (poster, međunarodna recenzija, sažetak, znanstveni) -
23.Marković, Marijana; Ramek, Michael; Sabolović, JasminaQuantum chemical study of bis(L-threoninato)copper(II) and bis(L-allo-threoninato)copper(II) as isolated complexes // Abstract book of the Brijuni Conference: "Self organizing matter and emergence" / Bosanac, Slobodan Danko ; Cikota, Aleksandar ; Cikota, Stefan (ur.).
Zagreb: Institut Ruđer Bošković, 2014. str. 33-33 (poster, međunarodna recenzija, sažetak, znanstveni) -
24.Szalontai, Gábor; Sabolović, Jasmina; Marković, Marijana; Balogh, SzabolcsSolid-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 doi:10.1002/ejic.201402134 (međunarodna recenzija, članak, znanstveni)
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25.Marković, Marijana; Ramek, Michael; Sabolović, JasminaWhy 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 doi:10.1002/ejic.201300746 (međunarodna recenzija, članak, znanstveni)
