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Scientific Reports|March 19, 2022
Organelle specific fluorescent phenomics and transcriptomic profiling to evaluate cellular response to tris(1,3 dichloro 2 propyl)phosphateMd Mamunul Haque, Taras Voitsitskyi, Jun-Seok LeeACS Central Science|December 30, 2020
Kidney-Targeted Cytosolic Delivery of siRNA Using a Small-Sized Mirror DNA Tetrahedron for Enhanced PotencyHien Bao Dieu Thai, Kyoung-Ran Kim, Kyung Tae Hong, et al.Journal of Chemical Information and Modeling|September 16, 2025
Sampling and Ranking of Protein Conformations Using Machine Learning Techniques Do Not Improve the Quality of Rigid Protein-Protein DockingRoman Stratiichuk, Roman Kyrylenko, Ihor Koleiev, et al.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.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.Chemmedchem|January 31, 2026
Structural Impact of 4-Hydroxynonenal Modification on Human Cytochrome CYP4F11Olena Gnatyuk, Oleksii Skorokhod, Alessandro Damin, 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.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.Pageof 1