Pregled po projektu: Modeliranje i međudjelovanje kompleksa prijelaznih metala i bioliganada (MB: MZOS-022-0222148-2822)
Pronađeno 67 radova
-
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)
