Semen O. Yesylevskyy

11 papers Journal 10Unranked 1
YearRankTypeTitle / Venue / Authors
2026 J jnl
ArtiDock: Accurate Machine Learning Approach to Protein-Ligand Docking Optimized for High-Throughput Virtual Screening.
J. Chem. Inf. Model.
Taras Voitsitskyi, Ihor Koleiev, Roman Stratiichuk, Oleksandr Kot, Roman Kyrylenko, Illia Savchenko, Vladyslav Husak, Semen O. Yesylevskyy, Serhii Starosyla, Alan Nafiiev
2025 J jnl
Leveraging large language models for literature-driven prioritization of protein binding pockets.
Bioinform.
Roman Stratiichuk, Mykola Melnychenko, Ihor Koleiev, Taras Voitsitskyi, Vladyslav Husak, Nazar Shevchuk, Zakhar Ostrovsky, Volodymyr G. Bdzhola, Semen O. Yesylevskyy, Serhii Starosyla, Alan Nafiiev
2025 J jnl
MolAR: Memory-Safe Library for Analysis of MD Simulations Written in Rust.
J. Comput. Chem.
Semen O. Yesylevskyy
2025 J jnl
Sampling and Ranking of Protein Conformations Using Machine Learning Techniques Do Not Improve the Quality of Rigid Protein-Protein Docking.
J. Chem. Inf. Model.
Roman Stratiichuk, Roman Kyrylenko, Ihor Koleiev, Illia Savchenko, Taras Voitsitskyi, Vladyslav Husak, Semen O. Yesylevskyy, Serhii Starosyla, Alan Nafiiev
2021 J jnl
Flexoelectric and Piezoelectric Coupling in a Bended MoS2 Monolayer.
Symmetry
Hanna V. Shevliakova, Semen O. Yesylevskyy, Ihor Kupchak, Galina I. Dovbeshko, Yunseok Kim, Anna N. Morozovska
2016 J jnl
Selective Inhibition of STAT3 with Respect to STAT1: Insights from Molecular Dynamics and Ensemble Docking Simulations.
J. Chem. Inf. Model.
Semen O. Yesylevskyy, Christophe Ramseyer, Marc Pudlo, Jean-René Pallandre, Christophe Borg
2015 J jnl
Pteros 2.0: Evolution of the fast parallel molecular analysis library for C++ and python.
J. Comput. Chem.
Semen O. Yesylevskyy
2012 J jnl
Pteros: Fast and easy to use open-source C++ library for molecular analysis.
J. Comput. Chem.
Semen O. Yesylevskyy
2011 — conf
Integrated tools for molecular dynamics simulation data analysis in the MolDynGrid virtual laboratory.
IDAACS (1)
Oleksandr V. Savytskyi, Ievgen A. Sliusar, Semen O. Yesylevskyy, Sergii G. Stirenko, Alexander I. Kornelyuk
2010 J jnl
Polarizable Water Model for the Coarse-Grained MARTINI Force Field.
PLoS Comput. Biol.
Semen O. Yesylevskyy, Lars V. Schäfer, Durba Sengupta, Siewert J. Marrink
2007 J jnl
ProtSqueeze: Simple and Effective Automated Tool for Setting up Membrane Protein Simulations.
J. Chem. Inf. Model.
Semen O. Yesylevskyy