Dr. Jovan Dragelj
My research is done in the field of computational chemistry and biochemistry with the focus is on protein function and applications on systems like cytochrome c oxidase, phytochromes, DNA-repair mechanism, bacterial cell division proteins. Methods include Quantum Chemistry, Molecular Modelling, Molecular Dynamics (classical and accelerated), QM/MM, postprocessing with Python. My new project is on the function of hydrogenase enzymes, which can be intergrated in hydrogenase-based biofuel cells.
Funding by the Cluster of Excellence UniSySCat (Unifying Systems in Catalysis) is gratefully acknowledged.
Partner in a project PAMD financed by The Science Fund of the Republic of Serbia.
External collaborator within SynPepBio (The Research Training Group on Bioactive Peptides) and SFB 1078 (Sonderforschungsbereich, SFB).
STEM (Science, Technology, Engineering, Mathematics) diversity advocate ( Link)
In the organisation team of popular science events at the Naturkundemuseum: ( Live Talks "Diverse Science")
Address at Technical University Berlin:
Institute of Chemistry
Technical University Berlin
Strasse 17. Juni 135
♦ A Resonance Raman Marker Band Characterizes the Slow and Fast Form of Cytochrome c Oxidase DOI:10.1021/jacs.0c10767 (2021). F. Kruse, A. D. Nguyen, J. Dragelj, J. Heberle, P. Hildebrandt, M.A. Mroginski, I. Weidinger
♦ The redox-coupled proton-channel opening in cytochrome c oxidase DOI:10.1039/C9SC06463J (2020). A. Wolf, J. Dragelj, J. Wonneberg, J. Stellmacher, J. Balke, A. L. Woelke, M. Hodoscek, E. W. Knapp, U. Alexiev (J. D and A. W. contributed equally)
Video Abstract Back Cover Image
♦ Characterisation of the Cyanate Inhibited State of Cytochrome c Oxidase DOI:10.1038/s41598-020-60801-0 (2020). F. Kruse, A. D. Nguyen, J. Dragelj, R. Schlesinger, J. Heberle, M.A. Mroginski, I. Weidinger
♦ Role of AP-endonuclease (Ape1) active site residues in stabilization of the reactant enzyme-DNA complex DOI:10.1002/prot.25460 (2018). H. Batebi, J. Dragelj, P. Imhof
♦ Structural and Vibrational Characterization of the Chromophore Binding Site of Bacterial Phytochrome Agp1 DOI:10.1111/php.12737 (2017). A. Takiden, F. Velazquez-Escobar, J. Dragelj, A. L. Woelke, E. W. Knapp, P. Piwowarski, F. Bart, P. Hildebrandt, M. A. Mroginski
♦ C-H/O Interactions of Aromatic CH Donors within Proteins: A Crystallographic Study DOI:10.1021/acs.cgd.5b01543 (2016). J. Dragelj, I. Stankovic, D. Bozinovski, T. Meyer, D. Veljkovic, V. Medakovic, E. W. Knapp, S. Zaric
♦ Coordinating benzenes stack stronger than noncoordinating benzenes, even at large horizontal displacements DOI:10.1021/acs.cgd.5b01514 (2016). D. Malenov, J. Dragelj, G. Janjic, S. Zaric
♦ Crystallographic and ab initio study of pyridine CH-O interactions: linearity of the interactions and influence of pyridine classical hydrogen bonds DOI:10.1039/c3ce40759d (2013). J. Dragelj, G. Janjic, D. Veljkovic, S. Zaric