Dr. rer. nat. Chemestry Aleksandr Zlobin

ACADEMIC CAREER

• 2025 - 2027 PhD, Scientist IZBI, Leipzig University
• 2024 DR. RER. NAT. IN CHEMISTRY, Faculty of Chemistry and Mineralogy, Leipzig University. Magna cum laude (1,3), title: Enhanced sampling and multiscale simulations for computational enzymology.
• 2020 – 2023 Lead Bioinformatician, Lactocore Group Managing the development of Reptide platform for high-throughput computational structure-based discovery of small peptide binders. Recruiting and organizing a team. Planning software and hardware acquisitions. Supporting the development of current assets.
• 2020 – 2023 Lecturer, Lomonosov Moscow State University, Updating and teaching compulsory courses, “Introduction to structural bioinformatics” and “Structural bioinformatics”). Curriculum development for “Structural enzymology” and “Protein design” courses. Supervising undergraduate research projects, 13 projects defended to date.
• 2013 – 2019 Specialist (combined BSc+MSc) in Bioengineering and Bioinformatics, Faculty of Bioengineering and Bioinformatics, Moscow State University Thesis: Design of organophosphatase activity and stereoselectivity in proteins.

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SCIENTIFIC INTERESTS

• Computational enzymology,
• structural bioinformatics,
• enzyme design,
• molecular dynamics simulations,
• QM/MM,
• enhanced sampling methods,
• biomolecular modeling

PUBLICATIONS

MISCELLANEOUS

  CONFERENCES Towards universal data-driven variables to sample reactions in triad hydrolases. Aleksandr Zlobin. Leveraging Machine Learning for Sampling Rare Events in Biomolecular Systems (CECAM Flagship Workshop), September 17–19, 2024, Mainz, Germany   Incorrect dynamics near through-bond QM/MM boundaries is rescued by respecting force field Coulomb exclusions. Alexander Zlobin. 60th Symposium on Theoretical Chemistry (STC 2024), September 2–6, 2024, Braunschweig, Germany   Charges and Boundary Terms: Easy Ways to Spoil Your QM/MM(MD) Results. Alexander Zlobin. Hünfeld 2024: Workshop on Computer Simulation and Theory of Macromolecules, April 19–20, 2024, Hünfeld, Germany   Enzymatic plastic degradation is limited by substrate bond rotation. Alexander Zlobin, Georg Kuenze. 2nd European RosettaCon, September 25–27, 2023, Leipzig, Germany.   Pendulum heart of cholinesterases. Alexander Zlobin. ACS Spring 2023, March 26–30, 2023, Indianapolis, IN and Online.   Protonation state of organophosphate-inhibited butyrylcholinesterase: a QM/MM metadynamics study. Alexander Zlobin, Andrey Golovin. 20 years of metadynamics (CECAM Flagship Workshop). September 5–8, 2022, Lausanne, Switzerland and Online.   Tyrosine phosphatase-inspired redesign of an abzyme bioscavenger. A Zlobin, V Maslova, I Smirnov, A Golovin. FEBS Congress 2021, July 3–8, 2021, Online.