| Title: | Associate Professor |
| Location: | 307a/ZBK |
| Public phone number: | +385 1 4606 241 |
| Internal phone number: | 6241 |
| E-mail: | |
| Department: | Division of Biochemistry |
| Graduation year: | 2010 |
| mr.sc. graduation year: | 2011 |
| PhD graduation year: | 2017 |
| Employed in this institution since: | 2018 |
undergraduate
graduate
integrated undergraduate and graduate
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
Di-mannosylation enhances the adjuvant properties of adamantane-containing desmuramyl peptides in vivo
Thermal and structural characterization of selected biopolymers after irradiation
MDavocado: Analysis and Visualization of Protein Motion by Time-Dependent Angular Diagrams
Book of Abstracts: COZYME2024
HOW DID NEGATIVE CATALYSIS TAILOR THE SPECIFICITY OF ISOLEUCYL-tRNA SYNTHETASES’S EDITING DOMAIN?
Application of metagenomic esterases for environmentally friendly degradation of polylactic acid
Computational analysis of purine nucleoside phosphorylase dynamics
Computational and experimental characterization of esterase from Rhodopseudomonas palustris for the degradation of polylactic acid
DECIPHERING DYNAMICS OF PURINE NUCLEOSIDE PHOSPHORYLASE
Antibiotic hyper-resistance in a class I aminoacyl-tRNA synthetase with altered active site signature motif
Estimating risk of cardiovascular pharmaceuticals in freshwaters using zebrafish embryotoxicity test - statins threat revealed
Allosteric Communication in Enzymes Through Advanced Visualization of MD Simulations
Impact of non-proteinogenic amino acid norvaline and proteinogenic valine misincorporation on a secondary structure of a model peptide
Negative catalysis by the editing domain of class I aminoacyl-tRNA synthetases
NEGATIVE CATALYSIS BY ISOLEUCYL-tRNA SYNTHETASE: HOW BROAD SUBSTRATE SELECTIVITY DOES NOT PROMOTE FUTILE EDITING CYCLES
ALL BUT ONE: HOW NEGATIVE CATALYSIS SHAPED EVOLUTION OF THE ISOLEUCYL-TRNA SYNTHETASE'S EDITING DOMAIN
Search for Allostery in Purine Nucleoside Phosphorylases via Database of Molecular Interactions
Why monoamine oxidase B preferably metabolizes N-methylhistamine over histamine: evidence from the multiscale simulation of the rate-limiting step
The EVB method: in silico approach to understanding the enzyme catalysis
Mannosylated adamantane-containing desmuramyl peptide recognition by the NOD2 receptor: a molecular dynamics study
Synthesis of immunostimulating mannosylated desmuramyl peptides and a structural insights into NOD2 binding
Adamantane-containing desmuramyl peptides: synthesis and structural insight into NOD2 binding
Importance of protein intrinsic conformational dynamics and transient nature of non-covalent interactions in ligand binding affinity
Understanding substrate promiscuity by computational approach: a case study of selected phospholipase and lipase
Optimized SQE atomic charges for peptides accessible via a web application
Utilization of the zebrafish model to unravel the harmful effects of biomass burning during Amazonian wildfires
Nanosized zeolite beta - determining the safety of usage by zebrafish Danio rerio embryos
The substrate selectivity of the two homologous SGNH hydrolases from Streptomyces bacteria: Molecular dynamics and experimental study
Mehanizam djelovanja toksina difterije i kolere
Heparanase binds substrate via a dynamic binding mechanism
Computational approach to substrate promiscuity: a case study of selected phospholipase and lipase enzymes
Laureati godišnje nagrade Društva
Computational modeling of histamine metabolism in humans
Expanded and revisited mode of action of antibiotics pantothenamides
4th International Scientific Meeting of COST Action CM1306 “Understanding Movement and Mechanism in Molecular Machines”, Book of Abstracts, Zagreb, 21-24, March, 2018
Empirical Valence Bond Simulations Suggest a Direct Hydride Transfer Mechanism for Human Diamine Oxidase
Computational investigation of the catalytic activity and selectivity of amine oxidases towards histamine and N-methylhistamine
What a difference a methyl group makes - the selectivity of monoamine oxidase B towards histamine and N-methylhistamine
Catalytic Dyad in the SGNH Hydrolase Superfamily: In-depth Insight into Structural Parameters Tuning the Catalytic Process of Extracellular Lipase from Streptomyces rimosus
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
Computational study of the substrate specificity of monoamine oxidase B
A novel antimicrobial target—expanded and revisited mode of action of pantothenamides
Computational study of the substrate specificity of monoamine oxidase B
The Quantum Nature of Drug-Receptor Interactions: Deuteration Changes Binding Affinities for Histamine Receptor Ligands
Computational Insights into Substrate Specificity of Monoamine Oxidase B
Synthesis and characterization of ML and ML2 metal complexes with amino acid substituted bis(2-picolyl)amine ligands
Computational study of the substrate specificity of monoamine oxidase B
Computational investigations of the B. japonicum Gly:CP ligase 1 specificity towards amino acid substrate and aminoacyl carrier protein
Supramolecular Ionic-Liquid Gels with High Ionic Conductivity
The binding of histamine and N-methylhistamine to monoamine oxidase B and their metabolic pathways
The origin of specificity and insight into recognition between an aminoacyl carrier protein and its partner ligase
Insight into recognition between aminoacyl carrier protein and its binding partner
Isolation, biochemical characterization and anti-bacterial activity of BPIFA2 protein
A single amino acid substitution affects the substrate specificity of the seryl-tRNA synthetase homologue
Nobelova nagrada za kemiju za 2013. godinu
Substrate selectivity of atypical methanogenic-type Seryl-tRNA synthetases-computational approach
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.
Croatian Biophysical Society
Croatian Crystallographic Association
Croatian Society of Biochemistry and Molecular Biology
Pristupačnost
