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Yurii S. Moroz
Researcher at Taras Shevchenko National University of Kyiv
Publications - 84
Citations - 2854
Yurii S. Moroz is an academic researcher from Taras Shevchenko National University of Kyiv. The author has contributed to research in topics: Medicine & Chemistry. The author has an hindex of 19, co-authored 66 publications receiving 1703 citations. Previous affiliations of Yurii S. Moroz include Enamine Ltd & Syracuse University.
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Ultra-large library docking for discovering new chemotypes
Jiankun Lyu,Sheng Wang,Trent E. Balius,Isha Singh,Anat Levit,Yurii S. Moroz,Matthew J. O’Meara,Tao Che,Enkhjargal Algaa,Kateryna A. Tolmachova,Andrey A. Tolmachev,Brian K. Shoichet,Bryan L. Roth,John J. Irwin +13 more
TL;DR: Using a make-on-demand library that contains hundreds-of-millions of molecules, structure-based docking was used to identify compounds that, after synthesis and testing, are shown to interact with AmpC β-lactamase and the D4 dopamine receptor with high affinity.
Journal ArticleDOI
Short peptides self-assemble to produce catalytic amyloids
Caroline M. Rufo,Yurii S. Moroz,Olesia V. Moroz,Jan Stöhr,Tyler A. Smith,Xiaozhen Hu,William F. DeGrado,Ivan V. Korendovych +7 more
TL;DR: The results indicate that prion-like fibrils are able to not only catalyze their own formation – they also can catalyze chemical reactions, indicating that they might have served as intermediates in the evolution of modern-day enzymes.
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An open-source drug discovery platform enables ultra-large virtual screens
Christoph Gorgulla,Andras Boeszoermenyi,Zi-Fu Wang,Patrick D. Fischer,Patrick D. Fischer,Paul Coote,Krishna Mohan Padmanabha Das,Yehor S. Malets,Dmytro S. Radchenko,Yurii S. Moroz,David A. Scott,Konstantin Fackeldey,Konstantin Fackeldey,Moritz Hoffmann,Iryna Iavniuk,Gerhard Wagner,Haribabu Arthanari +16 more
TL;DR: VirtualFlow, an open-source drug discovery platform, enables the efficient preparation and virtual screening of ultra-large ligand libraries to identify molecules that bind with high affinity to target proteins.
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ZINC20-A Free Ultralarge-Scale Chemical Database for Ligand Discovery.
John J. Irwin,Khanh G. Tang,Jennifer J. Young,Chinzorig Dandarchuluun,Benjamin R. Wong,Munkhzul Khurelbaatar,Yurii S. Moroz,John Mayfield,Roger A. Sayle +8 more
TL;DR: ZINC20 is developed, a new version of ZINC with two major new features: billions of new molecules and new methods to search them: explicit atomic-level graph-based methods and 3D methods such as docking.
Journal ArticleDOI
Virtual discovery of melatonin receptor ligands to modulate circadian rhythms
Reed M. Stein,Hye Jin Kang,John D. McCorvy,John D. McCorvy,Grant C. Glatfelter,Grant C. Glatfelter,Anthony Jones,Tao Che,Samuel T. Slocum,Xi Ping Huang,Olena Savych,Yurii S. Moroz,Benjamin Stauch,Linda C. Johansson,Vadim Cherezov,Terry P. Kenakin,John J. Irwin,Brian K. Shoichet,Bryan L. Roth,Margarita L. Dubocovich +19 more
TL;DR: This study illustrates the opportunities for modulating melatonin receptor biology through MT 1 -selective ligands and for the discovery of previously undescribed, in vivo active chemotypes from structure-based screens of diverse, ultralarge libraries.