Semen Yesylevskyy

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Latest publications

ArtiDock: Accurate Machine Learning Approach to Protein–Ligand Docking Optimized for High-Throughput Virtual Screening

T. Voitsitskyi I. Koleiev O. Kot R. Kyrylenko I. Savchenko V. Husak S. Yesylevskyy S. Starosyla A. Nafiiev

Journal of Chemical Information and Modeling 66 (4): 2117–2128 (2026)

Sampling and Ranking of Protein Conformations Using Machine Learning Techniques Do Not Improve the Quality of Rigid Protein–Protein Docking

R. Stratiichuk R. Kyrylenko I. Koleiev I. Savchenko T. Voitsitskyi V. Husak S. Yesylevskyy S. Starosyla A. Nafiiev

Journal of Chemical Information and Modeling 65 (19): 10167–10179 (2025)

Leveraging large language models for literature-driven prioritization of protein binding pockets

R. Stratiichuk M. Melnychenko I. Koleiev T. Voitsitskyi V. Husak N. Shevchuk Z. Ostrovsky V. Bdzhola S. Yesylevskyy S. Starosyla A. Nafiiev

Bioinformatics 41 (8): btaf449 (2025)

Neural Network Models for Prediction of Biological Activity using Molecular Dynamics Data: A Case of Photoswitchable Peptides

A. Cherednichenko S. Afonin O. Babii T. Voitsitskyi R. Stratiichuk I. Koleiev V. Vozniak N. Shevchuk Z. Ostrovsky S. Yesylevskyy A. Nafiiev S. Starosyla A. S. Ulrich A. Jirgensons I. V. Komarov

Molecular Informatics 44 (7): e70001 (2025)