Yurii S. Moroz

University of North Carolina at Chapel Hill — United States

Materials Science · Physical Sciences

34h-index7.4kcitations216works9.42yr avg
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Research Topics

Crystallization and Solubility Studies(47), X-ray Diffraction in Crystallography(47), Computational Drug Discovery Methods(46), Chemical Synthesis and Analysis(37), Click Chemistry and Applications(18)

Publications216 total

Ultra-large virtual screening unveils potent agonists of the neuromodulatory orphan receptor GPR139
Nature Communications·2025· 1 citedOpen Access
Crystal structure and Hirshfeld surface analysis of 3-(3,5-dimethoxyphenyl)-5-[6-(1 <i>H</i> -pyrazol-1-yl)pyridin-2-yl]-1 <i>H</i> -1,2,4-triazole
Acta Crystallographica Section E Crystallographic Communications·2025Open Access
Expanding Chemical Space of N-Acyl Sulfonamides with Click Chemistry for Carbonic Anhydrase Inhibitor Discovery
2025
Expanding chemical space of N-acyl sulfonamides for carbonic anhydrase inhibitor discovery
European Journal of Medicinal Chemistry·2025· 1 cited
Structure based discovery of antipsychotic-like TAAR1 agonists
2025Open Access
V-synthes2 - the Next Generation Tool for Structure-based Virtual Screening of Giga-scale Chemical Spaces
2025· 1 citedOpen Access
Docking for EP4R antagonists active against inflammatory pain
UNC Libraries·2025Open Access
CACHE Challenge #3: Targeting the Nsp3 Macrodomain of SARS-CoV-2
2025Open Access
Freedom Space 3.0: ML-Assisted Selection of Synthetically Accessible Small Molecules
Journal of Chemical Information and Modeling·2025· 2 cited
Synthesis, crystal structure, Hirshfeld surface analysis, and energy framework of bis{3-(4-bromophenyl)-5-[6-(1<i>H</i>-pyrazol-1-yl)pyridin-2-yl]-4<i>H</i>-1,2,4-triazol-4-ido}nickel(II) methanol disolvate and comparison with its chloro-substituted analogue
Acta Crystallographica Section E Crystallographic Communications·2025Open Access
A generative deep learning approach to de novo antibiotic design
Cell·2025· 31 citedOpen Access
A bottom-up approach to find lead compounds in expansive chemical spaces
Communications Chemistry·2025· 2 citedOpen Access
Expanding Chemical Space of N-Acyl Sulfonamides for Carbonic Anhydrase Inhibitor Discovery
2025Open Access
Expanding Chemical Space of N-Acyl Sulfonamides for Carbonic Anhydrase Inhibitor Discovery
2025Open Access
CACHE Challenge #2: Targeting the RNA Site of the SARS-CoV-2 Helicase Nsp13
Journal of Chemical Information and Modeling·2025· 8 citedOpen Access
Exploration of structure-activity relationships for the SARS-CoV-2 macrodomain from shape-based fragment linking and active learning
Science Advances·2025· 14 citedOpen Access
Abstract 3152: Identification and characterization of inhibitors SHOC2-MRAS-PP1C complex assembly
Cancer Research·2025
Rapid traversal of vast chemical space using machine learning-guided docking screens
Nature Computational Science·2025· 39 citedOpen Access
Virtual library docking for cannabinoid-1 receptor agonists with reduced side effects
Nature Communications·2025· 9 citedOpen Access
CACHE Challenge #2: Targeting the RNA Site of the SARS-CoV-2 Helicase Nsp13
2025Open Access
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Frequent Co-authors

John J. Irwin(14), Brian K. Shoichet(12), Ivan V. Korendovych(9), Dmytro S. Radchenko(9), Bryan L. Roth(6), Jiankun Lyu(5), Xi‐Ping Huang(5), Oleksandr O. Grygorenko(5), Isabella Glenn(5), Olga O. Tarkhanova(5), Andrey A. Tolmachev(4), O.V. Moroz(4), Olena Savych(4), Alexander Chuprina(4), Elissa A. Fink(4), Stefan Gahbauer(4), Isha Singh(3), Anat Levit(3), Tao Che(3), Christoph Gorgulla(3)