Assistant Professor at Department of Organic Chemistry and Pharmaceutical Technology, Wrocław Medical University.
“Combining the precision of quantum chemistry with the complexity of biological systems, to architect the next generation of therapeutic agents.” — on why in silico chemistry matters for pharmacy
I'm a pharmacist by training (MPharm, ) and hold a PhD in pharmaceutical sciences () from Wrocław Medical University, where I specialised in computational modelling of antioxidant mechanisms. My academic path took a sharp turn early on — by the third year of my master's, I had already swapped the pharmacy counter for computational chemistry algorithms.
Looking for a fixed roster of projects? You won't find one — they change faster than I can update this website. My scientific toolbox is just as restless, continuously evolving and currently split across the three pillars you'll find below (besides all the others!).
Antioxidants make up the bulk of my publication record — they were my launching pad. Photosensitisers, meanwhile, are steering my habilitation journey. But if there's one constant in my work, it's a relentless curiosity and a hunger for the next big idea, collaboration, or unexpected opportunity.
DFT, TD-DFT and ab initio methods — detailed thermochemistry, kinetics, and excited states analyses.
Membrane systems and protein–drug binding including classical MD, QM/MM and steered MD.
Structure-based virtual screening for enzyme targets.
Exploring ansatz-based algorithms for molecular Hamiltonians — early days, but the perspective shift is electrifying.
Roughly fifty publications cluster around the three themes below — antioxidants, photodynamic therapy, and drug & method design. They're the three biggest clusters, not an exhaustive map.
Unpicking how flavonoids, phenolic acids, and anthocyanidins (and others!) neutralise reactive oxygen species — acid–base speciation, competing HAT/SET/RAF mechanisms, metal chelation, and even the repair of biomolecules that have already been oxidised. Includes senotherapeutic properties.
Using TD-DFT to decode photosensitiser efficiency — one- and two-photon absorption, excited state dynamics, and reactivity in type I, II and III mechanisms. Natural dyes and metal complexes each offer a distinct photophysical pathway to exploit.
The methodological engine that ensures every prediction holds up. Benchmarking methods, developing computational tools, and providing reproducible workflows and Python‑driven automation that inform drug design. Enclosed within the other research projects for now — but gradually crystallizing into a pillar of its own.
Picked for different reasons — highest impact factor, an award, a mentee's first paper, a stretch outside the usual topics, and a cornerstone of the senolytics thread. The full, chronological list of all is further down, under Publications.
Career progress rarely runs downhill in a straight line — closer, maybe, to a potential energy surface: exploratory steps early on, a deep and stable minimum at the doctorate, and a climb toward the next one now.
Principal investigator, project 2022/45/N/NZ7/02264, National Science Centre (Poland). Combines experimental antioxidant assays with theoretical chemistry and Python-based QSAR models — the seed of Pillar I and III above.
In silico modelling of fisetin analogues with geroprotective and senolytic activity.
Computational design of heterocyclic ligands to tune Pt(II) reactivity and DNA binding.
Docking and molecular dynamics of gyrase–DNA–inhibitor complexes.
In silico screening of FDA-approved compounds targeting H. pylori biofilm metabolism.
Molecular interpretation of amino-acid profile dynamics in biofilm matrix exposed to antibiotics.
Invitation to the Early Career Collection 2025 (J. Nat. Prod., ACS) and nomination for the Jack L. Beal Award (ASP) for best publication by an early-career scientist.
For scientific achievement, awarded in two consecutive editions.
Stanford University & Elsevier — ranked in the single-year impact list for 2023 and 2024.
Taylor & Francis — for the paper "Post-CCSD(T) corrections to bond distances and vibrational frequencies: the power of Λ".
Wrocław Medical University — for significant and creative scientific work, awarded in consecutive years.
Scholarship and distinction for early-career research achievement.
PhD in pharmaceutical sciences, Wrocław Medical University — thesis „In silico studies of the antioxidant activity of phytochemical compounds”.
Full archive of peer-reviewed articles charting ongoing research trajectories. Papers belonging to the doctoral cycle are highlighted with a violet border and papers belonging to the habilitation cycle are highlighted with a golden border.
Interviews, popular-science features, and university press releases covering my research.
Click any marker on the globe to view details about the research stay, host institution, or conference presentation.
— Select a marker on the globe —