Semen Yesylevskyy

Všechny publikace

Nejnovější publikace

An End-User Audit of Reproducibility, Data Leakage, and Overfitting of the Top-Ranked ADMET Prediction Models in TDC Leaderboards

I. Koleiev R. Stratiichuk N. Shevchuk M. Melnychenko A. Nyporko D. Todoryshyn V. Husak S. Starosyla S. Yesylevskyy A. Nafiiev

Journal of Chemical Information and Modeling 2026: Early View

Dark Side of Escherichia coli Biogenic Inner Membrane: Overabundance of Three Main Phospholipids on Cytoplasmic Leaflet

K. Sawasato N. Bogdanova W. Dowhan S. Yesylevskyy M. Bogdanov

Journal of the American Chemical Society 148 (23): 24455–24476 (2026)

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)