Pronađeno 67 radova, za izraz:
"PROJEKT: (Modeliranje i međudjelovanje kompleksa prijelaznih metala i bioliganada (MZOS-022-0222148-2822))"
DODAJ/IZMIJENI OPERATORE PRETRAŽIVANJA
-
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)
-
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)
-
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)
-
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)
-
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)
-
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)
-
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)
-
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)
-
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)
-
26.Sabolović, Jasmina; Marković, MarijanaModeling of noncovalent interactions of bis(amino acidato)copper(II) complexes in the solid state and aqueous solution // Bioinformatics and biological physics: proceedings of the scientific meeting / Paar, Vladimir (ur.).
Zagreb: Hrvatska akademija znanosti i umjetnosti (HAZU), 2013. str. 139-148 (ostalo, domaća recenzija, cjeloviti rad (in extenso), znanstveni) -
27.Marković, Marijana; Ramek, Michael; Sabolović, JasminaQuantum chemical study of bis(L- histidinato)copper(II) as an isolated complex // 15. Österreichische Chemietage 2013, Austrian Chemistry Days, Book of Abstracts / Gescheidt-Demner, Georg (ur.).
Graz: Graz University of Technology, 2013. str. PO-191 (poster, međunarodna recenzija, sažetak, ostalo) -
28.Marković, Marijana; Ramek, Michael; Sabolović, JasminaQuantum chemical study of bis(L- histidinato)copper(II) surrounded with water molecules // 15. Österreichische Chemietage 2013, Austrian Chemistry Days, Book of Abstracts / Gescheidt-Demner, Georg (ur.).
Graz: Graz University of Technology, 2013. str. PO-192 (poster, međunarodna recenzija, sažetak, znanstveni) -
29.Sabolović, JasminaModeling of noncovalent interactions and self-assembly of cis- and trans-bis(L-alaninato)copper(II) in aqueous solution // ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY VOLUME 245 / AMER. CHEMICAL SOC. (ur.).
New Orleans (LA): AMER CHEMICAL SOC, 1155 16TH ST, NW, WASHINGTON, DC 20036 USA, 2013. str. PHYS-396 (poster, međunarodna recenzija, sažetak, znanstveni) -
30.Marković, Marijana; Ramek, Michael; Sabolović, JasminaQuantum chemical study of bis(L- histidinato)copper(II) as isolated complex and surrounded with water molecules // XXIII. hrvatski skup kemičara i kemijskih inženjera, Knjiga sažetaka / Hadžiev, Andrea ; Blažeković, Zdenko (ur.).
Zagreb: Hrvatsko društvo kemijskih inženjera i tehnologa (HDKI), 2013. str. 173-173 (poster, međunarodna recenzija, sažetak, znanstveni) -
31.Marković, MarijanaMolekulsko modeliranje kompleksa bakra(II) s aminokiselinama u vakuumu, kristalu i vodenoj otopini, 2012., doktorska disertacija, Prirodoslovno-matematički fakultet, Zagreb
-
32.Tus, Alan; Rakipović, Alen; Peretin, Goran; Tomić, Sanja; Šikić, MileBioMe : biologically relevant metals // Nucleic acids research, 40 (2012), W352-W357 doi:10.1093/nar/gks514 (međunarodna recenzija, članak, znanstveni)
-
33.Hrvoje, Brkić; Daniela, Buongiorno; Michael, Ramek; Grit, Straganz; Sanja, TomićDke1 – Structure, Dynamics and Function, A Theoretical and Experimental Study Elucidated the Role of the Binding Site Shape and the H-Bonding Network in Catalysis // Journal of biological inorganic chemistry, 17 (2012), 5; 801-815 doi:10.1007/s00775-012-0898-8 (međunarodna recenzija, članak, znanstveni)
-
34.Marković, Marijana; Milić, Dalibor; Sabolović, JasminaModeling triple conformational disorder in a new crystal polymorph of cis-aquabis(L-isoleucinato)copper(II) // Crystal growth & design, 12 (2012), 8; 4116-4129 doi:10.1021/cg300636w (međunarodna recenzija, članak, znanstveni)
-
35.Tomić, Antonija; Gonzalez, Miguel; Tomić, SanjaThe large scale conformational change of the human DPP III – substrate prefers the "closed" form // Journal of chemical information and modeling, 52 (2012), 6; 1583-1594 doi:10.1021/ci300141k (međunarodna recenzija, članak, znanstveni)
-
36.Miličević, Ante; Branica, Gina; Raos, NenadIrving-Williams Order in the Framework of Connectivity Index 3χv Enables Simultaneous Prediction of Stability Constants of Bivalent Transition Metal Complexes // Molecules, 16 (2011), 2; 1103-1112 doi:10.3390/molecules16021103 (međunarodna recenzija, članak, znanstveni)
-
37.Tomić, Sanja; Brkić, Hrvoje; Ramek, Michael; Buongiorno, Daniele; Straganz, GritInfluence of The Hydrophobic Residues on The Dke1 Activity // Molecular Simulations in Biosystems and Material Science (SimBioMa)
Konstanz, Njemačka, 2011. str. 1-1 (poster, međunarodna recenzija, sažetak, znanstveni) -
38.Sanja, Tomić; Hrvoje, Brkić; Michael, Ramek; Grit, StraganzStep Forward in Understanding Mechanism of Non-heme Fe2+ Dependent Dioxyhenase Dke1 Catalysis // Book of Abstract
Santiago de Compostela, Španjolska, 2011. str. 1-1 (predavanje, međunarodna recenzija, sažetak, znanstveni) -
39.Sabolović, JasminaMD MODELING AND KINETIC EFFECTS OF SELF-ASSEMBLY OF TRANS AND CIS BIS(L-ALANINATO)COPPER(II) COMPLEXES INTO A CRYSTALLIZATION NUCLEUS IN AQUEOUS SOLUTION // Ninth Triennial Congress of the WORLD ASSOCIATION OF THEORETICAL AND COMPUTATIONAL CHEMISTS WATOC 2011 / Yáñez, Manuel ; Mó, Otilia (ur.).
Santiago de Compostela, 2011. str. PII 232-PII 232 (poster, međunarodna recenzija, sažetak, ostalo) -
40.Marković, Marijana; Milić, Dalibor; Sabolović, JasminaCan MD Simulations of Solvated Bis(L- isoleucinato)copper(II) in Aqueous Solution Explain a Disorder in the X-Ray Crystal Structure // WATOC 2011 - Ninth Triennial Congress of the World Association of Theoretical and Computational Chemists: Program and Book of Abstracts / Yáñez, Manuel ; Mó, Otilia (ur.).
Santiago de Compostela, 2011. str. P II 011-P II 011 (poster, međunarodna recenzija, sažetak, znanstveni) -
41.Šimunović, Mijo; Žagrović, Bojan; Tomić, SanjaMechanism and thermodynamics of ligand binding to auxin amidohydrolase // Journal of molecular recognition, 24 (2011), 5; 854-861 doi:10.1002/jmr.1128 (međunarodna recenzija, članak, znanstveni)
-
42.Marković, Marijana; Judaš, Nenad; Sabolović, JasminaCombined Experimental and Computational Study of cis-trans Isomerism in Bis(L-valinato)copper(II) // Inorganic chemistry, 50 (2011), 8; 3632-3644 doi:10.1021/ic102585f (međunarodna recenzija, članak, znanstveni)
-
43.Tomić, Antonija; Abramić, Marija; Špoljarić, Jasminka; Agić, Dejan; Smith, David M.; Tomić, SanjaHuman Dipeptidyl Peptidase III: Insights into Ligand Binding from a Combined Experimental and Computational Approach // Journal of molecular recognition, 24 (2011), 5; 804-814 doi:10.1002/jmr.1115 (međunarodna recenzija, članak, znanstveni)
-
44.Marković, Marijana; Sabolović, JasminaMolecular modeling of crystallization processes of trans and cis bis(L-valinato)copper(II) from aqueous solution // Book Of Abstracts, The 5th Central European Conference – Chemistry towards Biology / Abramić, Marija ; Maksić, Zvonimir, Salopek-Sondi, Branka ; Tomić, Sanja ; Vianello, Robert (ur.).
Zagreb: Institut Ruđer Bošković, 2010. str. 101-101 (poster, međunarodna recenzija, sažetak, znanstveni) -
45.Marković, Marijana; Judaš, Nenad; Sabolović, JasminaMolecular modeling in crystalline surroundings and single-crystal X-ray diffraction of trans and cis bis(L-valinato)copper(II) crystal and molecular structures // Book of Abstracts and Program, 10th International Symposium and Summer School on Bioanalysis / Matković-Čalogović, Dubravka ; Milić, Dalibor ; Prugovečki, Biserka ; Galić, Nives (ur.).
Zagreb, 2010. str. 61-61 (predavanje, međunarodna recenzija, sažetak, znanstveni) -
46.Tomić, Antonija; Špoljarić, Jasminka; Abramić, Marija; Tomić, SanjaLigand binding to human DPP III and its mutant H568N - computational analyses // Abstracts of the 6th International Workshop on New Approaches in Drug Design & Discovery "The Interactions :From Atom-Atom Contacts to Networks in System Biology" / Klebe, Gerhard ; Matter, Hans ; Sotriffer, Hans (ur.).
Marburg: University of Marburg, 2010. str. 87-87 (poster, međunarodna recenzija, sažetak, znanstveni) -
47.Marković, Marijana; Gomzi, Vjeran; Sabolović, JasminaMolecular modelling of copper(II) complexes with histidine // Book of Abstracts, Tenth International Summer School on Biophysics Supramolecular structure and function / Pifat-Mrzljak, Greta ; Zahradka, Ksenija (ur.).
Zagreb: Institut Ruđer Bošković, 2009. str. 132-132 (poster, međunarodna recenzija, sažetak, znanstveni) -
48.Marković, Marijana; Sabolović, JasminaCan the MD simulations of solvated trans and cis bis(L-valinato)copper(II) molecules in aqueous solution reveal the reasons for crystallisation of specific conformers? // Book Of Abstracts, The 3rd Adriatic Meeting on Computational Solutions in the Life Sciences / Tomić, Sanja (ur.).
Zagreb: Centre for Computational Solutions in the Life Sciences, Ruđer Bošković Institute, 2009. str. 66-66 (poster, međunarodna recenzija, sažetak, znanstveni) -
49.Savić, Bojana; Tomić, Sanja; Magnus, Volker; Gruden, Kristina; Barle, Katja; Grenković, Renata; Salopek-Sondi, Branka; Jutta Ludwig-MüllerAuxin amidohydrolases from Brassica rapa cleave conjugates of indole propionic and indole butyric acid as preferable substrates: A biochemical and modeling approach // ACPD 2009, Auxins and Cytokinins in Plant Development, Book of Abstracts
Prag, 2009. str. 22-22 (predavanje, međunarodna recenzija, sažetak, znanstveni) -
50.Savić, Bojana; Tomić, Sanja; Magnus, Volker; Gruden, Kristina; Barle, Katja; Grenković, Renata; Ludwig-Müller, Jutta; Salopek-Sondi, BrankaAuxin amidohydrolases from Brassica rapa cleave the alanine conjugate of indolepropionic acid as a preferable substrate: a biochemical and modeling approach // Plant and cell physiology, 50 (2009), 9; 1587-1599 doi:10.1093/pcp/pcp101 (međunarodna recenzija, članak, znanstveni)
