Semen O. Yesylevskyy

According to our database, Semen O. Yesylevskyy authored at least 11 papers between 2007 and 2026.

Collaborative distances:

• Dijkstra number of five.
• Erdős number of five.

2026

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

Taras Voitsitskyi, Ihor Koleiev, Roman Stratiichuk, Oleksandr Kot, Roman Kyrylenko, Illia Savchenko, Vladyslav Husak, Semen O. Yesylevskyy, Serhii Starosyla, Alan Nafiiev

J. Chem. Inf. Model., 2026

2025

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

Roman Stratiichuk, Roman Kyrylenko, Ihor Koleiev, Illia Savchenko, Taras Voitsitskyi, Vladyslav Husak, Semen O. Yesylevskyy, Serhii Starosyla, Alan Nafiiev

J. Chem. Inf. Model., 2025

MolAR: Memory-Safe Library for Analysis of MD Simulations Written in Rust.

Semen O. Yesylevskyy

J. Comput. Chem., 2025

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

Roman Stratiichuk, Mykola Melnychenko, Ihor Koleiev, Taras Voitsitskyi, Vladyslav Husak, Nazar Shevchuk, Zakhar Ostrovsky, Volodymyr G. Bdzhola, Semen O. Yesylevskyy, Serhii Starosyla, Alan Nafiiev

Bioinform., 2025

2021

Flexoelectric and Piezoelectric Coupling in a Bended MoS2 Monolayer.

Hanna V. Shevliakova, Semen O. Yesylevskyy, Ihor Kupchak, Galina I. Dovbeshko, Yunseok Kim, Anna N. Morozovska

Symmetry, 2021

2016

Selective Inhibition of STAT3 with Respect to STAT1: Insights from Molecular Dynamics and Ensemble Docking Simulations.

Semen O. Yesylevskyy, Christophe Ramseyer, Marc Pudlo, Jean-René Pallandre, Christophe Borg

J. Chem. Inf. Model., 2016

2015

Pteros 2.0: Evolution of the fast parallel molecular analysis library for C++ and python.

Semen O. Yesylevskyy

J. Comput. Chem., 2015

2012

Pteros: Fast and easy to use open-source C++ library for molecular analysis.

Semen O. Yesylevskyy

J. Comput. Chem., 2012

2011

Integrated tools for molecular dynamics simulation data analysis in the MolDynGrid virtual laboratory.

Oleksandr V. Savytskyi, Ievgen A. Sliusar, Semen O. Yesylevskyy, Sergii G. Stirenko, Alexander I. Kornelyuk

Proceedings of the IEEE 6th International Conference on Intelligent Data Acquisition and Advanced Computing Systems: Technology and Applications, 2011

2010

Polarizable Water Model for the Coarse-Grained MARTINI Force Field.

Semen O. Yesylevskyy, Lars V. Schäfer, Durba Sengupta, Siewert J. Marrink

PLoS Comput. Biol., 2010

2007

ProtSqueeze: Simple and Effective Automated Tool for Setting up Membrane Protein Simulations.

Semen O. Yesylevskyy

J. Chem. Inf. Model., 2007