About employee

izv. prof. dr. sc. Aleksandra Maršavelski

Title: Associate Professor
Location: 307a/ZBK
Public phone number:+385 1 4606 241
Internal phone number:6241
E-mail: E-mail
Department: Division of Biochemistry
Graduation year:2010
mr.sc. graduation year:2011
PhD graduation year:2017
Employed in this institution since:2018

Teaching

undergraduate

graduate

integrated undergraduate and graduate

Biography

EDUCATION

 

03/2012-07/2017 Ph.D. in Chemistry, Faculty of Science, University of Zagreb, Croatia

09/2010-07/2011 M.Sc. in Biochemistry, Faculty of Chemistry, University of Belgrade, Serbia

09/2006-07/2010 B.Sc. in Biochemistry, Faculty of Chemistry, University of Belgrade, Serbia

 

FELLOWSHIPS, SCHOLARSHIPS AND AWARDS

2023 Woman in Research (WiRe) Postdoc Fellowship granted by University of Münster in Germany

2017 Annual best young scientist's paper award from the Society of University Professors, scholars and other scientists in Zagreb

2016/2017 Town of Zagreb Scholarship for the best PhD students

2016 The Best Scientific Paper Award - Ruđer Bošković Institute yearly award

2016 FEBS Short-Term Fellowship to visit the Kamerlin lab in Uppsala, Sweden

2011 Top Student Award, Faculty of Chemistry, University of Belgrade, Serbia

 

SHORT-TERM VISITS

08-10/2019 UKF project, the Kamerlin lab (Professor Lynn Kamerlin), Uppsala University, Uppsala,  Sweden, (Project: Catalytic selectivity toward fluorinated compounds)

08-09/2017 Jackson Research Group, Australian National University, Canberra,  Australia (Project: Interaction networks in proteins)

FEBS Short-Term Fellowship to visit the Kamerlin lab, Uppsala University, Uppsala,  Sweden, 06-08/2016 (Project: Catalytic mechanism of diamine oxidase revealed by  EVB simulations)

National Institute of Chemistry, Department of Computational Biochemistry and Drug Design, Ljubljana, Slovenia, 01-02/2016. (Project: Catalytic mechanism and selectivity of monoamine oxidase B revealed by EVB simulations)

PROJECTS

Principal investigator

•    ”Enzyme engineering for sustainable bioplastic recycling“ call: Research projects for young researchers, The National Recovery and Resilience Plan founded through Next Generation EU July 2023 – July 2026 (613.614,53 EUR)

•    ”Optimization of biogas production through smart allocation of input materials, bacterial, and enzymatic diversity“ – call: Start-up/spin-off companies of young researchers, The National Recovery and Resilience Plan founded through Next Generation EU October 2023 – July 2026 (199.093,18 EUR)

•    ”Sustainable Management of Plastic Waste through Biorecycling“, April 1st  2023 –March 31st, 2024. Funded through Horizon2020-sponsored program UNIC 4 Engaged Research (UNIC4ER); Project for the establishment of a consortium and collaborative network.

•    “Computational optimization of enzymes that catalyze beneficial reactions for the environment” 2021-2022, funded by the Foundation of Croatian Academy of Sciences and Arts

•    “Characteristics of the primordial amino acid norvaline in the context of modern proteins” 2020-2021, funded by the Foundation of Croatian Academy of Sciences and Arts

•     “Catalytic selectivity toward fluorinated compounds” in collaboration with Prof. Shina Caroline Lynn Kamerlin, Uppsala University, Uppsala, 2019, funded by the Unity through knowledge Fund (UKF)

•    “Mechanisms of discrimination in editing domain of isoleucyl-tRNA synthetase from E. coli” 2019-2020, funded by the Foundation of Croatian Academy of Sciences and Arts

Secondary Proposer and MC member

•    COST Action CA21162 – “Establishing a Pan-European Network on Computational Redesign of Enzymes” (2022-2026), Working Group 2 “Computational optimization of catalytic properties” leader

•    COST Action CA21160 - “Non-globular proteins in the era of Machine Learning (2022-2026)

Collaborator

•    “HERO – Healthcare Online”; EU project – Central European Initiative (CEI) – 2020-2021

•    “Allosteric communication pathways in oligomeric enzymes” (2020-2024); Croatian Science Foundation

•    “Aminoacyl-tRNA synthetases as gatekeepers of the standard genetic code” (2017-2021); Croatian Science Foundation (consultant)

•    “Computational studies of the biogenic amines of the brain for targeting neurological diseases – CompBAND” (2013-2017); FP7 Marie Curie Career Integration Grant

Published papers recorded in the Croatian Scientific Bibliography Database

DECIPHERING DYNAMICS OF PURINE NUCLEOSIDE PHOSPHORYLASE

Gomaz, Boris ; Pandini, Alessandro ; Maršavelski, Aleksandra ; Štefanić, Zoran
2024.

HOW DID NEGATIVE CATALYSIS TAILOR THE SPECIFICITY OF ISOLEUCYL-tRNA SYNTHETASES’S EDITING DOMAIN?

Živković, Igor; Maršavelski, Aleksandra; Gruić-Sovulj, Ita
2024.

Di-mannosylation enhances the adjuvant properties of adamantane-containing desmuramyl peptides in vivo

Paurević, Marija; Maršavelski, Aleksandra; Ivanković, Siniša; Stojković, Ranko; Ribić, Rosana
2024.
Organic & biomolecular chemistry

Thermal and structural characterization of selected biopolymers after irradiation

Juričan, Nikolina; Maršavelski, Aleksandra; Pustak, Anđela
2024.

MDavocado: Analysis and Visualization of Protein Motion by Time-Dependent Angular Diagrams

Gomaz, Boris; Pandini, Alessandro; Maršavelski, Aleksandra; Štefanić, Zoran
2024.
Journal of chemical information and modeling

Computational analysis of purine nucleoside phosphorylase dynamics

Gomaz, Boris; Pandini, Alessandro; Maršavelski, Aleksandra; Štefanić, Zoran
2024.

Impact of non-proteinogenic amino acid norvaline and proteinogenic valine misincorporation on a secondary structure of a model peptide

Škibola, Zara; Gruić Sovulj, Ita; Maršavelski, Aleksandra;
2023.
Journal of molecular graphics & modelling

Allosteric Communication in Enzymes Through Advanced Visualization of MD Simulations

Štefanić, Zoran; Maršavelski, Aleksandra; Gomaz, Boris;
2023.

Antibiotic hyper-resistance in a class I aminoacyl-tRNA synthetase with altered active site signature motif

Brkić, Alojzije; Leibundgut, Marc; Jablonska, Jagoda; Zanki, Vladimir; Car, Željka; Petrović Peroković, Vesna; Maršavelski, Aleksandra; Ban, Nenad; Gruić Sovulj, Ita
2023.
Nature communications

Estimating risk of cardiovascular pharmaceuticals in freshwaters using zebrafish embryotoxicity test - statins threat revealed

Matijević, Gabrijela ; Babić, Sanja ; Maršavelski, Aleksandra ; Stipaničev, Draženka ; Repec, Siniša ; Čož-Rakovac, Rozelindra ; Klobučar, Göran
2023.
Chemosphere

Search for Allostery in Purine Nucleoside Phosphorylases via Database of Molecular Interactions

Štefanić, Zoran ; Maršavelski, Aleksandra ; Gomaz, Boris
2022.

Why monoamine oxidase B preferably metabolizes N-methylhistamine over histamine: evidence from the multiscale simulation of the rate-limiting step

Maršavelski, Aleksandra ; Mavri, Janez ; Vianello, Robert ; Stare, Jernej
2022.
International journal of molecular sciences

ALL BUT ONE: HOW NEGATIVE CATALYSIS SHAPED EVOLUTION OF THE ISOLEUCYL-TRNA SYNTHETASE'S EDITING DOMAIN

Živković, Igor ; Maršavelski, Aleksandra, Gruić- Sovulj, Ita
2022.

Negative catalysis by the editing domain of class I aminoacyl-tRNA synthetases

Živković, Igor ; Ivković, Kate ; Cvetešić, Nevena ; Maršavelski, Aleksandra ; Gruić Sovulj, Ita
2022.
Nucleic acids research

Adamantane-containing desmuramyl peptides: synthesis and structural insight into NOD2 binding

Paurević, Marija ; Maršavelski, Aleksandra ; Korica, Milenko ; Ribić, Rosana
2021.

Utilization of the zebrafish model to unravel the harmful effects of biomass burning during Amazonian wildfires

Babić, Sanja ; Čižmek, Lara ; Maršavelski, Aleksandra ; Malev, Olga ; Pflieger, Maryline ; Strunjak-Perović, Ivančica ; Topić Popović, Natalija ; Čož-Rakovac, Rozelindra ; Trebše, Polonca
2021.
Scientific reports

Optimized SQE atomic charges for peptides accessible via a web application

Schindler, Ondřej ; Raček, Tomáš ; Maršavelski, Aleksandra ; Koča, Jaroslav ; Berka, Karel ; Svobodová, Radka
2021.
Journal of Cheminformatics

Mannosylated adamantane-containing desmuramyl peptide recognition by the NOD2 receptor: a molecular dynamics study

Maršavelski, Aleksandra ; Paurević, Marija ; Ribić, Rosana
2021.
Organic & biomolecular chemistry

Understanding substrate promiscuity by computational approach: a case study of selected phospholipase and lipase

Aleksandra Maršavelski, Igor Sabljić, Daisuke Sugimori, Biserka Kojić-Prodić
2021.

Importance of protein intrinsic conformational dynamics and transient nature of non-covalent interactions in ligand binding affinity

Kekez, Mario ; Zanki, Vladimir ; Antičević, Ivan ; Rokov-Plavec, Jasmina ; Maršavelski, Aleksandra
2021.
International journal of biological macromolecules

The substrate selectivity of the two homologous SGNH hydrolases from Streptomyces bacteria: Molecular dynamics and experimental study

Maršavelski, Aleksandra ; Sabljić, Igor ; Sugimori, Daisuke ; Kojić-Prodić, Biserka
2020.
International journal of biological macromolecules

Nanosized zeolite beta - determining the safety of usage by zebrafish Danio rerio embryos

Palčić, Ana ; Babić, Sanja ; Maršavelski, Aleksandra ; Galić, Maja ; Topić Popović, Natalija ; Strunjak Perović, Ivančica ; Čož- Rakovac, Rozelindra ; Bronić, Josip ; Valtchev, Valentin
2020.
Microporous and mesoporous materials

Heparanase binds substrate via a dynamic binding mechanism

Ahmed, Hafna ; Maršavelski, Aleksandra ; Moahmed, Elaaf ; Jamieson, Emily ; Correy, Galen ; Jackson, Colin
2019.

Computational approach to substrate promiscuity: a case study of selected phospholipase and lipase enzymes

Maršavelski, Aleksandra ; Sabljić, Igor ; Kojić- Prodić, Biserka
2019.

Computational modeling of histamine metabolism in humans

Maršavelski, Aleksandra ; Vianello, Robert ; Mavri, Janez ; Kamerlin, Shina Caroline Lynn
2018.

Empirical Valence Bond Simulations Suggest a Direct Hydride Transfer Mechanism for Human Diamine Oxidase

Maršavelski, Aleksandra ; Petrović, Dušan ; Bauer, Paul ; Vianello, Robert ; Kamerlin, Shina Caroline Lynn
2018.
ACS Omega

Catalytic Dyad in the SGNH Hydrolase Superfamily: In-depth Insight into Structural Parameters Tuning the Catalytic Process of Extracellular Lipase from Streptomyces rimosus

Leščić Ašler, Ivana ; Štefanić, Zoran ; Maršavelski, Aleksandra ; Vianello, Robert ; Kojić-Prodić, Biserka
2017.
Acs chemical biology

What a difference a methyl group makes - the selectivity of monoamine oxidase B towards histamine and N-methylhistamine

Maršavelski, Aleksandra ; Vianello, Robert
2017.
Chemistry : a European journal

Computational study of the substrate specificity of monoamine oxidase B

Maršavelski, Aleksandra; Stare, Jernej; Vianello, Robert
2016.

Synthesis and characterization of ML and ML2 metal complexes with amino acid substituted bis(2-picolyl)amine ligands

Škalamera, Đani ; Sanders, Ernest ; Vianello, Robert ; Maršavelski, Aleksandra ; Pevec, Andrej ; Turel, Iztok ; Kirin, Srećko I.
2016.
Dalton transactions

Computational study of the substrate specificity of monoamine oxidase B

Maršavelski, Aleksandra; Vianello, Robert
2016.

The Quantum Nature of Drug-Receptor Interactions: Deuteration Changes Binding Affinities for Histamine Receptor Ligands

Kržan, Mojca ; Vianello, Robert ; Maršavelski, Aleksandra ; Repič, Matej ; Zakšek, Maja ; Kotnik, Kristina ; Fijan, Estera ; Mavri, Janez
2016.
PLoS One

Computational Insights into Substrate Specificity of Monoamine Oxidase B

Maršavelski, Aleksandra ; Vianello, Robert
2016.

Computational study of the substrate specificity of monoamine oxidase B

Maršavelski, Aleksandra ; Vianello, Robert
2016.

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

Schwamm, Ryan J. ; Vianello, Robert ; Maršavelski, Aleksandra ; García, M. Ángeles ; Claramunt, Rosa M. ; Alkorta, Ibon ; Saame, Jaan ; Leito, Ivo ; Fitchett, Christopher M. ; Edwards, Alison J. ; Coles, Martyn P.
2016.
Journal of organic chemistry

Supramolecular Ionic-Liquid Gels with High Ionic Conductivity

Maršavelski, Aleksandra ; Smrečki, Vilko ; Vianello, Robert ; Žinić, Mladen ; Moguš-Milanković, Andrea ; Šantić, Ana
2015.
Chemistry : a European journal

Insight into recognition between aminoacyl carrier protein and its binding partner

Maršavelski, Aleksandra ; Močibob, Marko ; Gruić-Sovulj, Ita ; Vianello, Robert
2015.

The origin of specificity and insight into recognition between an aminoacyl carrier protein and its partner ligase

Maršavelski, Aleksandra ; Močibob, Marko ; Gruić- Sovulj, Ita ; Vianello, Robert
2015.
PCCP. Physical chemistry chemical physics

Computational investigations of the B. japonicum Gly:CP ligase 1 specificity towards amino acid substrate and aminoacyl carrier protein

Maršavelski, Aleksandra ; Močibob, Marko ; Gruić-Sovulj, Ita ; Vianello, Robert
2015.

Isolation, biochemical characterization and anti-bacterial activity of BPIFA2 protein

Prokopović, Vladimir ; Popović, Milica ; Anđelković, Uroš ; Maršavelski, Aleksandra ; Rasković, Brankica ; Gavrović-Jankulović, Marija ; Polović, Natalija
2014.
Archives of oral biology

A single amino acid substitution affects the substrate specificity of the seryl-tRNA synthetase homologue

Maršavelski, Aleksandra ; Lesjak, Sonja ; Močibob, Marko ; Weygand-Đurašević, Ivana ; Tomić, Sanja
2014.
Molecular biosystems

Nobelova nagrada za kemiju za 2013. godinu

Grabar Branilović, Marina ; Maršavelski, Aleksandra ; Tomić, Antonija ; Tomić, Sanja
2013.
Kemija u industriji : časopis kemičara i tehnologa Hrvatske
More information about publications

List of select publications

A. Maršavelski, I. Sabljić, D. Sugimori, B. Kojić-Prodić, The substrate selectivity of the two homologous SGNH hydrolases from Streptomyces bacteria: Molecular dynamics and experimental study, International Journal of Biological Macromolecules (2020) 158: 222-230

A. Palcic, S. Babić, A. Maršavelski, M. Galić, N. Topić Popović, I. Strunjak Perović, R. Čož-Rakovac, J. Bronić, V. Valtchev; Nanosized zeolite beta - determining the safety of usage by zebrafish Danio rerio embryos, Microporous and Mesoporous Materials (2020) 299, 110103

A. Maršavelski, D. Petrović, P. Bauer, R. Vianello, S. C. L. Kamerlin; Empirical Valence Bond Simulations Suggest a Direct Hydride Transfer Mechanism for Human Diamine Oxidase, ACS Omega (2018), 3: 3665–3674.

I. Leščić Ašler, Z. Štefanić, A. Maršavelski, R. Vianello and B. Kojić-Prodić; The Catalytic Dyad in the SGNH Hydrolase Superfamily: In-depth Insight into Structural Parameters Tuning Catalytic Process of Extracellular Lipase from Streptomyces rimosus, ACS Chemical Biology (2017), 12: 1928–1936. 

A. Maršavelski; R. Vianello; “What a difference a methyl group makes - the selectivity of monoamine oxidase B towards histamine and N-methylhistamine”, Chemistry - A European Journal (2017), 23: 2915–2925.  

R. J. Schwamm, R. Vianello, A. Maršavelski, M. Á. García, R. M. Claramunt, I. Alkorta, J. Saame, I. Leito, C. M. Fitchett, A. J. Edwards, and M. P. Coles; “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, (2016), 81: 7612–7625. 

A. Maršavelski; “A novel antimicrobial target—expanded and revisited mode of action of pantothenamides”, RSC advances, (2016), 6: 44888-44895.  

M. Kržan, R. Vianello, A. Maršavelski, M. Repič, M. Zakšek, K. Kotnik, E. Fijan and J. Mavri; “The Quantum Nature of Drug-Receptor Interactions: Deuteration Changes Binding Affinities for Histamine Receptor Ligands”, PLOS ONE, (2016), 11(5):e0154002. 

Đ. Škalamera, E. Sanders, R. Vianello, A. Maršavelski, A. Pevec, I. Turel and S. I. Kirin; “Synthesis and characterization of ML and ML2 metal complexes with amino acid substituted bis(2-picolyl)amine ligands”, Dalton Transactions, (2016), 45: 2845-2858. 

A. Maršavelski, V. Smrečki, R. Vianello, M. Žinić, A. Moguš-Milanković and A. Šantić; “Supramolecular Ionic-Liquid Gels with High Ionic Conductivity”, Chemistry - A European Journal (2015), 21: 12121–12128. 

A. Maršavelski, M. Močibob, I. Gruić-Sovulj, R. Vianello; “The origin of specificity and insight into recognition between aminoacyl carrier protein and its partner ligase”, Physical Chemistry Chemical Physics (2015), 17: 19030-19038.  

A. Maršavelski, S. Lesjak, M. Močibob, I. Weygand-Đurašević, S. Tomić; “A single amino acid substitution affects the substrate specificity of the seryl-tRNA synthetase homologue”, Molecular BioSystems (2014), 10: 3207-3216. 

V. Prokopović, M. Popović, U. Anđelković, A. Maršavelski, B. Rasković, M. Gavrović-Jankulović, N. Polović; “Isolation, biochemical characterization and anti-bacterial activity of BPIFA2 protein”, Archives of Oral Biology (2014), 59: 302-309. 

Professional memberships

Croatian Biophysical Society

Croatian Crystallographic Association

Croatian Society of Biochemistry and Molecular Biology