Pregled po CROSBI profilu: Aleksandra Maršavelski (CROSBI Profil: 33339, MBZ: 354106)
Pronađeno 44 radova
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1.Estimating risk of cardiovascular pharmaceuticals in freshwaters using zebrafish embryotoxicity test - statins threat revealed // Chemosphere, 313 (2023), 137574, 10 doi:10.1016/j.chemosphere.2022.137574 (međunarodna recenzija, članak, znanstveni)
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2.ALL BUT ONE: HOW NEGATIVE CATALYSIS SHAPED EVOLUTION OF THE ISOLEUCYL-TRNA SYNTHETASE'S EDITING DOMAIN // Solutions in Chemistry / Kassal, Petar ; Meštrović, Ernest ; Namjesnik, Danijel ; Ribić, Rosana ; Šekutor, Marina ; Tomišić, Vladislav ; Usenik, Andrea (ur.).
Zagreb: Hrvatsko kemijsko društvo, 2022. str. 51-51 (pozvano predavanje, sažetak, znanstveni) -
3.NEGATIVE CATALYSIS BY ISOLEUCYL-tRNA SYNTHETASE: HOW BROAD SUBSTRATE SELECTIVITY DOES NOT PROMOTE FUTILE EDITING CYCLES // Book of Abstracts of the Congress of the Croatian Society of Biochemistry and Molecular Biology HDBMB22: From Science to Knowledge / Dulić, Morana ; Sinčić, Nino ; Vrhovac Madunić, Ivana (ur.).
Zagreb: Hrvatsko Društvo za Biotehnologiju, 2022. str. 164-164 (poster, sažetak, znanstveni) -
4.Search for Allostery in Purine Nucleoside Phosphorylases via Database of Molecular Interactions // The Twenty-eighth Croatian-Slovenian Crystallographic Meeting : Book of Abstracts
Zagreb, 2022. str. 46-46 (predavanje, sažetak, znanstveni) -
5.Negative catalysis by the editing domain of class I aminoacyl-tRNA synthetases // Nucleic acids research, 50 (2022), 7; 4029-4041 doi:10.1093/nar/gkac207 (međunarodna recenzija, članak, znanstveni)
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6.Why monoamine oxidase B preferably metabolizes N-methylhistamine over histamine: evidence from the multiscale simulation of the rate-limiting step // International journal of molecular sciences, 23 (2022), 3; 1910, 15 doi:10.3390/ijms23031910 (međunarodna recenzija, članak, znanstveni)
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7.The EVB method: in silico approach to understanding the enzyme catalysis // Computational Approaches to Understanding and Engineering Enzyme Catalysis
Oulu, Finska, 2021. str. 1-1 (pozvano predavanje, međunarodna recenzija, sažetak, znanstveni) -
8.Understanding substrate promiscuity by computational approach: a case study of selected phospholipase and lipase // ELIXIR 3D BioInfo Community Annual Meeting, https://elixir-europe.org/events/3d-bioinfo-2021- annual-meeting
online, 2021. str. 1-1 (predavanje, međunarodna recenzija, sažetak, znanstveni) -
9.Adamantane-containing desmuramyl peptides: synthesis and structural insight into NOD2 binding // 27th Croatian Meeting of Chemists and Chemical Engineers and 5th Symposium Vladimir Prelog : Book of Abstracts / Marković, Dean ; Meštrović, Ernest ; Namjesnik, Danijel ; Tomašić, Vesna (ur.).
Zagreb: Hrvatsko kemijsko društvo, 2021. str. 216-216 (poster, domaća recenzija, sažetak, znanstveni) -
10.Synthesis of immunostimulating mannosylated desmuramyl peptides and a structural insights into NOD2 binding // 56th International Conference on Medicinal Chemistry (RICT 2021)
online;, 2021. str. 107-107 (poster, međunarodna recenzija, sažetak, znanstveni) -
11.Optimized SQE atomic charges for peptides accessible via a web application // Journal of Cheminformatics, 13 (2021), 1; 45, 11 doi:10.1186/s13321-021-00528-w (međunarodna recenzija, članak, znanstveni)
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12.Importance of protein intrinsic conformational dynamics and transient nature of non-covalent interactions in ligand binding affinity // International journal of biological macromolecules, 192 (2021), 692-700 doi:10.1016/j.ijbiomac.2021.10.045 (međunarodna recenzija, članak, znanstveni)
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13.Mannosylated adamantane-containing desmuramyl peptide recognition by the NOD2 receptor: a molecular dynamics study // Organic & biomolecular chemistry, 19 (2021), 7001-7012 doi:10.1039/D1OB00679G (međunarodna recenzija, članak, znanstveni)
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14.Utilization of the zebrafish model to unravel the harmful effects of biomass burning during Amazonian wildfires // Scientific reports, 11 (2021), 2527, 12 doi:10.1038/s41598-021-81789-1 (međunarodna recenzija, članak, znanstveni)
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15.The substrate selectivity of the two homologous SGNH hydrolases from Streptomyces bacteria: Molecular dynamics and experimental study // International journal of biological macromolecules, 158 (2020), 222-230 doi:10.1016/j.ijbiomac.2020.04.198 (međunarodna recenzija, članak, znanstveni)
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16.Nanosized zeolite beta - determining the safety of usage by zebrafish Danio rerio embryos // Microporous and mesoporous materials, 299 (2020), 110103, 10 doi:10.1016/j.micromeso.2020.110103 (međunarodna recenzija, članak, znanstveni)
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17.Mehanizam djelovanja toksina difterije i kolere, 2019., diplomski rad, preddiplomski, Prirodoslovno-matematički fakultet, Kemijski odsjek, Zagreb
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18.Laureati godišnje nagrade Društva / Maršavelski, Aleksandra ; Maršavelski, Aleksandar (ur.). Zagreb: Društvo sveučilišnih nastavnika i drugih znanstvenika u Zagrebu, 2019 (ostalo)
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19.Computational approach to substrate promiscuity: a case study of selected phospholipase and lipase enzymes // Tiselius Symposium 2019
Uppsala, 2019. str. xiii-xiii (predavanje, podatak o recenziji nije dostupan, sažetak, ostalo) -
20.Heparanase binds substrate via a dynamic binding mechanism // Molecular biophysics : ABC of the puzzle of life, book of abstracts / Ivošević DeNardis, Nadica ; Campos-Olivas, Ramon ; Miele, E. Miele ; England, Patrick ; Vuletić, Tomislav (ur.).
Zagreb: Institut Ruđer Bošković ; Croatian Biophysical Society, 2019. str. 104-105 (poster, podatak o recenziji nije dostupan, sažetak, ostalo) -
21.Expanded and revisited mode of action of antibiotics pantothenamides // 2nd IHRS-BioSoft Symposium Biomolecular Machines: Simulations Meet Experiments
Jülich, Njemačka, 2018. (predavanje, podatak o recenziji nije dostupan, neobjavljeni rad, znanstveni) -
22.Computational modeling of histamine metabolism in humans // Book of Abstract Understanding Movement and Mechanism in Molecular Machines / Maltar Strmečki, Nadica ; Štajner, Lara ; Maršavelski, Aleksandra (ur.).
Zagreb, 2018. str. 11-11 (poster, podatak o recenziji nije dostupan, sažetak, znanstveni) -
23.Empirical Valence Bond Simulations Suggest a Direct Hydride Transfer Mechanism for Human Diamine Oxidase // ACS Omega, 3 (2018), 4; 3665-3674 doi:10.1021/acsomega.8b00346 (međunarodna recenzija, članak, znanstveni)
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24.4th International Scientific Meeting of COST Action CM1306 “Understanding Movement and Mechanism in Molecular Machines”, Book of Abstracts, Zagreb, 21-24, March, 2018 / Maltar-Strmečki, Nadica ; Štajner, Lara ; Maršavelski, Aleksandra (ur.). Zagreb: Institut Ruđer Bošković, 2018 (zbornik)
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25.Računalno ispitivanje katalitičke aktivnosti i selektivnosti aminskih oksidaza prema histaminu i N-metilhistaminu, 2017., doktorska disertacija, Prirodoslovno-matematički fakultet, Zagreb
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26.Catalytic Dyad in the SGNH Hydrolase Superfamily: In-depth Insight into Structural Parameters Tuning the Catalytic Process of Extracellular Lipase from Streptomyces rimosus // Acs chemical biology, 12 (2017), 7; 1928-1936 doi:10.1021/acschembio.6b01140 (međunarodna recenzija, članak, znanstveni)
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27.What a difference a methyl group makes - the selectivity of monoamine oxidase B towards histamine and N-methylhistamine // Chemistry : a European journal, 23 (2017), 12; 2915-2925 doi:10.1002/chem.201605430 (međunarodna recenzija, članak, znanstveni)
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28.Computational study of the substrate specificity of monoamine oxidase B // ECS3 Book of Abstracts / Popović, Jasminka ; Višnjevac, Aleksandar (ur.).
Zagreb: Croatian Association of Crystallographers, 2016. str. 7-7 (poster, sažetak, znanstveni) -
29.Ispitivanje supstratne selektivnosti monoaminooksidaze B računalnim metodama // Simpozij studenata doktorskih studija PMF-a : knjiga sažetaka / Primožič, Ines ; Hranilović, Dubravka (ur.).
Zagreb, 2016. str. 49-49 (poster, domaća recenzija, sažetak, znanstveni) -
30.Computational study of the substrate specificity of monoamine oxidase B // Advancing the Frontiers of (Bio)Chemistry with Valence Bond Approaches
Uppsala, Švedska, 2016. str. 47-47 (poster, međunarodna recenzija, sažetak, znanstveni) -
31.Computational study of the substrate specificity of monoamine oxidase B // ECS3 Book of Abstracts
Bol, Hrvatska, 2016. str. 7-7 (poster, međunarodna recenzija, sažetak, ostalo) -
32.A novel antimicrobial target—expanded and revisited mode of action of pantothenamides // RSC Advances, 6 (2016), 44888-44895 doi:10.1039/C6RA07430H (međunarodna recenzija, članak, znanstveni)
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33.15N NMR Spectroscopy, X-ray and Neutron Diffraction, Quantum-Chemical Calculations, and UV/vis-Spectrophotometric Titrations as Complementary Techniques for the Analysis of Pyridine-Supported Bicyclic Guanidine Superbases // Journal of organic chemistry, 81 (2016), 17; 7612-7625 doi:10.1021/acs.joc.6b01330 (međunarodna recenzija, članak, znanstveni)
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34.The Quantum Nature of Drug-Receptor Interactions: Deuteration Changes Binding Affinities for Histamine Receptor Ligands // PLoS One, 11 (2016), e0154002-e0154002 doi:10.1371/journal.pone.0154002 (međunarodna recenzija, članak, znanstveni)
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35.Synthesis and characterization of ML and ML2 metal complexes with amino acid substituted bis(2-picolyl)amine ligands // Dalton transactions, 45 (2016), 7; 2845-2858 doi:10.1039/C5DT03387J (međunarodna recenzija, članak, znanstveni)
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36.Computational investigations of the B. japonicum Gly:CP ligase 1 specificity towards amino acid substrate and aminoacyl carrier protein // AMBER Molecular dynamics workshop
Haifa, Izrael, 2015. (poster, međunarodna recenzija, neobjavljeni rad, ostalo) -
37.The binding of histamine and N-methylhistamine to monoamine oxidase B and their metabolic pathways // Computational Chemistry for Neurological Targets
Beograd, Srbija, 2015. str. 25-25 (predavanje, međunarodna recenzija, sažetak, ostalo) -
38.Insight into recognition between aminoacyl carrier protein and its binding partner // 29th European Crystallographic Meeting
Rovinj, Hrvatska, 2015. str. s211-s211 (poster, međunarodna recenzija, sažetak, ostalo) -
39.Supramolecular Ionic-Liquid Gels with High Ionic Conductivity // Chemistry : a European journal, 21 (2015), 34; 12121-12128 doi:10.1002/chem.201500887 (međunarodna recenzija, članak, znanstveni)
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40.The origin of specificity and insight into recognition between an aminoacyl carrier protein and its partner ligase // Physical Chemistry Chemical Physics, 17 (2015), 29; 19030-19038 doi:10.1039/C5CP03066H (međunarodna recenzija, članak, znanstveni)
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41.Isolation, biochemical characterization and anti-bacterial activity of BPIFA2 protein // Archives of oral biology, 59 (2014), 3; 302-309 doi:10.1016/j.archoralbio.2013.12.005 (međunarodna recenzija, članak, znanstveni)
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42.A single amino acid substitution affects the substrate specificity of the seryl-tRNA synthetase homologue // Molecular biosystems, 10 (2014), 12; 3207-3216 doi:10.1039/C4MB00416G (međunarodna recenzija, članak, znanstveni)
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43.Nobelova nagrada za kemiju za 2013. godinu // Kemija u industriji : časopis kemičara i tehnologa Hrvatske, 62 (2013), 11-12; 468-471 (podatak o recenziji nije dostupan, osvrt, stručni)
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44.Substrate selectivity of atypical methanogenic-type Seryl-tRNA synthetases-computational approach // The 11th Greta Pifat-Mrzljak International School of Biophysics
Primošten, Hrvatska, 2012. (poster, međunarodna recenzija, sažetak, ostalo)
