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Journal of Chemical Information and Modeling|January 30, 2026
ArtiDock: Accurate Machine Learning Approach to Protein-Ligand Docking Optimized for High-Throughput Virtual ScreeningTaras Voitsitskyi, Ihor Koleiev, Roman Stratiichuk, et al.
Science Advances|June 16, 2020
Phospholipid distribution in the cytoplasmic membrane of Gram-negative bacteria is highly asymmetric, dynamic, and cell shape-dependentMikhail Bogdanov, Kyrylo Pyrshev, Semen Yesylevskyy, et al.
Biochimica Et Biophysica Acta. Biomembranes|April 24, 2022
Amphiphilic anti-SARS-CoV-2 drug remdesivir incorporates into the lipid bilayer and nerve terminal membranes influencing excitatory and inhibitory neurotransmissionNatalia Krisanova, Natalia Pozdnyakova, Artem Pastukhov, et al.
Bioinformatics (Oxford, England)|August 12, 2025
Leveraging large language models for literature-driven prioritization of protein binding pocketsRoman Stratiichuk, Mykola Melnychenko, Ihor Koleiev, et al.
Drug Delivery and Translational Research|November 24, 2025
Combining Leu-enkephalin nanomedicines with enkephalinase inhibitors: a promising painkiller strategy?Lucas Prades, Hadjer Hazam, Frédéric Gobeaux, et al.
RSC Advances|April 3, 2023
3DProtDTA: a deep learning model for drug-target affinity prediction based on residue-level protein graphsTaras Voitsitskyi, Roman Stratiichuk, Ihor Koleiev, et al.
Cellular and Molecular Life Sciences : CMLS|April 10, 2024
A novel fatty acid analogue triggers CD36-GPR120 interaction and exerts anti-inflammatory action in endotoxemiaPierre-Marie Boutanquoi, Amira Sayed Khan, Lidia Cabeza, et al.
RSC Advances|January 4, 2024
Augmenting a training dataset of the generative diffusion model for molecular docking with artificial binding pocketsTaras Voitsitskyi, Volodymyr Bdzhola, Roman Stratiichuk, et al.
Molecular Informatics|July 14, 2025
Neural Network Models for Prediction of Biological Activity using Molecular Dynamics Data: A Case of Photoswitchable PeptidesAnton Cherednichenko, Sergii Afonin, Oleg Babii, et al.
Cellular and Molecular Gastroenterology and Hepatology|November 21, 2022
Novel Fat Taste Receptor Agonists Curtail Progressive Weight Gain in Obese Male MiceAmira Sayed Khan, Aziz Hichami, Babar Murtaza, et al.
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