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Molecular Informatics|June 9, 2023
Computer-aided design of muscarinic acetylcholine receptor M3 inhibitors: Promising compounds among trifluoromethyl containing hexahydropyrimidinones/thionesAlex Nyporko, Olga Tsymbalyuk, Ivan Voiteshenko, et al.
Molecular Diversity|May 24, 2022
Creation of targeted compound libraries based on 3D shape recognitionAndrii Kyrylchuk, Iryna Kravets, Anton Cherednichenko, et al.
Journal of Chemical Information and Modeling|September 26, 2025
Freedom Space 3.0: ML-Assisted Selection of Synthetically Accessible Small MoleculesAnna Kapeliukha, Serhii Hlotov, Mykola Protopopov, et al.
Research Square|November 24, 2025
V-synthes2 - the Next Generation Tool for Structure-based Virtual Screening of Giga-scale Chemical SpacesAntonina L Nazarova, Anastasiia V Sadybekov, Arman A Sadybekov, et al.
Npj Drug Discovery|July 3, 2026
V-SYNTHES2-the next generation tool for structure-based virtual screening of giga-scale chemical spacesAntonina L Nazarova, Anastasiia V Sadybekov, Arman A Sadybekov, et al.
Journal of Chemical Information and Modeling|June 20, 2025
CACHE Challenge #2: Targeting the RNA Site of the SARS-CoV-2 Helicase Nsp13Oleksandra Herasymenko, Madhushika Silva, Abd Al-Aziz A Abu-Saleh, et al.
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