Pregled po CROSBI profilu: Karmen Čondić-Jurkić (CROSBI Profil: 26004, MBZ: 296253)
Pronađeno 20 radova
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1.Hanževački, Marko; Čondić‐Jurkić, Karmen; Banhatti, Radha Dilip; Smith, Ana‐Sunčana; Smith, David M.The Influence of Chemical Change on Protein Dynamics: A Case Study with Pyruvate Formate‐Lyase // Chemistry : a European journal, 25 (2019), 37; 8741-8753 doi:10.1002/chem.201900663 (međunarodna recenzija, članak, znanstveni)
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2.Hanževački, Marko; Banhatti, Radha Dilip; Čondić-Jurkić, Karmen; Smith, Ana-Sunčana; Smith, David M.Exploring reactive conformations of coenzyme a during binding and unbinding to pyruvate formate–lyase // The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 123 (2019), 43; 9345-9356 doi:10.1021/acs.jpca.9b06913 (međunarodna recenzija, članak, znanstveni)
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3.Čondić-Jurkić, Karmen; Smith, Ana-Sunčana; Smith, David M.Acetylation as a Trigger of Conformational Changes in PFL Catalysis // Summer School "Computational Life Sciences on Open Shell Species", AvH Linkage Programme
Primošten, Hrvatska, 2013. (predavanje, sažetak, znanstveni) -
4.Čondić-Jurkić, Karmen; Smith, Ana-Sunčana; Smith, David M.Potential Coupling of Chemical and Conformational Changes in Pyruvate Formate-Lyase During the Catalysis // Summer School "Fundamental Problems in Statistical Physics"
Leuven, Belgija, 2013. (poster, sažetak, znanstveni) -
5.Čondić-Jurkić, KarmenStrategies in the Computational Modelling of Biological Systems: Case Studies with Radical Enzymes, 2013., doktorska disertacija, Naturwissenschaftliche Fakultät, Erlangen, Njemačka
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6.Čondić-Jurkić, Karmen; Smith, Ana-Sunčana; Smith, David M.Free Energy Landscape for Entrance Pathway of CoA into the Active Site of Pyruvate-Formate Lyase // Verhandlungen der Deutschen Physikalischen Gesellschaft (DPG)
Berlin: Deutsche Physikalische Gesellschaft, 2012. (poster, sažetak, znanstveni) -
7.Brkljača, Zlatko; Čondić-Jurkić, Karmen; Smith, Ana-Sunčana; Smith, David M.Calculation of the CD spectrum of a peptide from its conformational phase space: The case of Met-enkephalin and its unnatural analogue // Journal of chemical theory and computation, 8 (2012), 5; 1694-1705 doi:10.1021/ct200868y (međunarodna recenzija, članak, znanstveni)
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8.Čondić-Jurkić, Karmen; Smith, Ana-Sunčana; Zipse, Hendrik; Smith, David M.The Protonation States of the Active-Site Histidines in (6-4) Photolyase // Journal of Chemical Theory and Computation, 8 (2012), 3; 1078-1091 doi:10.1021/ct2005648 (međunarodna recenzija, članak, znanstveni)
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9.Čondić-Jurkić, Karmen; Smith, Ana-Sunčana; Zipse, Hendrik; Smith, David M.The Protonation States of Histidines in the Active Site of (6-4) Photolyase // WATOC Poster Abstracts
Santiago de Compostela, Španjolska, 2011. (poster, sažetak, znanstveni) -
10.Čondić-Jurkić, Karmen; Smith, Ana-Sunčana; Zipse, Hendrik; Smith, David M.New insights in the protonation states fo active- site histidines in (6-4) photolyase // 25th Molecular Modelling Workshop 2011
Erlangen, Njemačka, 2011. str. 34-34 (predavanje, sažetak, ostalo) -
11.Čondić-Jurkić, KarmenComputational methods in studying catalytic processes // EAM Winter School
Kirchberg am Wagram, Austrija, 2011. (predavanje, neobjavljeni rad, znanstveni) -
12.Čondić-Jurkić, Karmen; Zipse, Hendrik; Carell, Thomas; Smith, David MatthewAn MD and QM/MM Study of the Active Site of (6-4) Photolyase // SFB749 Meeting, Kloster Irsee / Carell, Birgit (ur.).
München: Ludwig-Maximilians-Universitat, 2010. str. 1-1 (poster, sažetak, ostalo) -
13.Čondić-Jurkić, Karmen; Zipse, Hendrik; Smith, David MatthewA Compound QM/MM Procedure: Comparative Performance on a Pyruvate Formate-Lyase Model System // Journal of computational chemistry, 31 (2010), 5; 1024-1035 doi:10.1002/jcc.21389 (međunarodna recenzija, članak, znanstveni)
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14.Čondić-Jurkić, Karmen; Zipse, Hendrik; Carell, Thomas; Smith, David M.Possible Protonation States of Histidines in the Active Site of (6-4) Photolyase // The 3rd Adriatic Meeting On Computational Solutions in the Life Sciences 2009 / Babić, Darko ; Došlić, Nađa ; Smith, David ; Tomić, Sanja ; Vlahoviček, Kristian (ur.).
Zagreb: Centre for Computational Solutions in Life Sciences (IRB), 2009. str. 52-52 (poster, sažetak, znanstveni) -
15.Čondić-Jurkić, Karmen; Smith, David M.Differential Binding Affinity to PFL of Substrate Pyruvate and Inhibitor Oxamate From Thermodynamic Cycle // Biomolecular Modeling Retreat
North Stradbroke Island, Australija, 2008. (poster, neobjavljeni rad, znanstveni) -
16.Čondić-Jurkić, Karmen; Zipse, Hendrik; Smith, David M.A Comparison of Reactivity of Natural Substrate Pyruvate and of the Inhibitor Oxamate in Pyuvate Formate-Lyase // WATOC 2008 Abstracts (Poster Session 3)
Sydney, 2008. (poster, sažetak, znanstveni) -
17.Čondić-Jurkić, Karmen; Perchyonok, V. Tamara; Zipse, Hendrik; Smith, David M.On the modeling of arginine-bound carboxylates: A case study with Pyruvate Formate-Lyase // Journal of computational chemistry, 29 (2008), 14; 2425-2433 doi:10.1002/jcc.20984 (međunarodna recenzija, članak, znanstveni)
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18.Čondić-Jurkić, Karmen; Zipse, Hendrik; Smith, David M.A Computational Study of Substrate Mechanism of Pyruvate-Formate Lyase // Book of Abstracts, The 2nd Opatija Meeting on Computational Solutions in Life Sciences / Babić, Darko ; Došlić, Nađa ; Smith, David ; Tomić, Sanja ; Vlahoviček, Kristian (ur.).
Zagreb: Center for Computational Solutions in the Life Sciences, 2007. (poster, sažetak, znanstveni) -
19.Čondić-Jurkić, Karmen; Zipse, Hendrik; Smith, David M.A Computational Study of Substrate Mechanism of Pyruvate-Formate Lyase // Density Functional Theory in Physics and Chemistry (DFT 07)
Amsterdam: Stichting HRSMC Congresorganisatie, 2007. (poster, sažetak, znanstveni) -
20.Čondić-Jurkić, KarmenRačunalna studija mehanizma piruvat-formijat-liaze, 2006., diplomski rad, Prirodoslovno-matematički fakultet (Kemijski odsjek), Zagreb
