Researcher

Institute of Molecular and Translational Medicine, Palacký University

Olomouc, Czech Republic

• Computational drug discovery research using molecular dynamics simulations, molecular docking, binding free-energy analysis, QSAR modeling, and de novo molecular design.
• Development of Python-based workflows and open-source tools for reproducible molecular modeling, including StreaMD and CReM-opt.

Ph.D. Researcher

Institute of Molecular and Translational Medicine, Palacký University

Olomouc, Czech Republic

• Doctoral research on computational methods linking molecular conformation to biological activity in small-molecule design, supervised by Dr. Pavel Polishchuk.
• Built computational chemistry workflows for high-performance computing systems.
• Contributed computational chemistry support to collaborative medicinal chemistry studies, resulting in co-authored publications.

Computer Scientist (part-time)

AI|ffinity s.r.o.

Czech Republic

• Curated and validated protein structure (PDB) datasets for molecular dynamics and machine-learning pipelines.
• Performed molecular docking using Glide.

Laboratory Assistant

Laboratory of Chemistry and Biochemistry, Volgograd State University

Volgograd, Russia

• Supported routine experimental procedures, including sample preparation, handling of laboratory equipment, and maintenance of laboratory materials.

Ph.D. in Molecular and Translational Medicine (Computational Chemistry)

Palacký University Olomouc, Czech Republic

Thesis: From molecular conformation to biological activity: computational methods for the design of small molecules

Supervisor: Dr. Pavel Polishchuk. Defended in 2026.

Specialist Degree with Honours in Bioengineering and Bioinformatics

Volgograd State University, Russia

CReM-opt: de novo design guided by explainable docking

Talk · RDKit User Group Meeting, Prague, Czech Republic

Molecular Dynamics Workshop

Lecturer · Workshop "Advanced in silico Drug Design", Olomouc, Czech Republic

Annual workshop.

GenCReM: de novo molecular generation

Poster · 12th International Conference on Chemical Structures (ICCS), Noordwijkerhout, Netherlands

Poster Award.