| Ultra-large library docking for discovering new chemotypes J Lyu, S Wang, TE Balius, I Singh, A Levit, YS Moroz, MJ O’Meara, T Che, ... Nature 566 (7743), 224-229, 2019 | 869 | 2019 |
| ZINC20—a free ultralarge-scale chemical database for ligand discovery JJ Irwin, KG Tang, J Young, C Dandarchuluun, BR Wong, M Khurelbaatar, ... Journal of chemical information and modeling 60 (12), 6065-6073, 2020 | 704 | 2020 |
| Short peptides self-assemble to produce catalytic amyloids CM Rufo, YS Moroz, OV Moroz, J Stohr, TA Smith, XZ Hu, WF DeGrado, ... Chem 6 (4), 303-309, 2014 | 620 | 2014 |
| An open-source drug discovery platform enables ultra-large virtual screens C Gorgulla, A Boeszoermenyi, ZF Wang, PD Fischer, PW Coote, ... Nature 580 (7805), 663-668, 2020 | 527 | 2020 |
| Synthon-based ligand discovery in virtual libraries of over 11 billion compounds AA Sadybekov, AV Sadybekov, Y Liu, C Iliopoulos-Tsoutsouvas, ... Nature 601 (7893), 452-459, 2022 | 294 | 2022 |
| Virtual discovery of melatonin receptor ligands to modulate circadian rhythms RM Stein, HJ Kang, JD McCorvy, GC Glatfelter, AJ Jones, T Che, ... Nature 579 (7800), 609-614, 2020 | 280 | 2020 |
| Structures of the σ2 receptor enable docking for bioactive ligand discovery A Alon, J Lyu, JM Braz, TA Tummino, V Craik, MJ O’Meara, CM Webb, ... Nature 600 (7890), 759-764, 2021 | 164 | 2021 |
| Generating multibillion chemical space of readily accessible screening compounds OO Grygorenko, DS Radchenko, I Dziuba, A Chuprina, KE Gubina, ... Iscience 23 (11), 2020 | 138 | 2020 |
| ZINC-22─ A free multi-billion-scale database of tangible compounds for ligand discovery BI Tingle, KG Tang, M Castanon, JJ Gutierrez, M Khurelbaatar, ... Journal of chemical information and modeling 63 (4), 1166-1176, 2023 | 132 | 2023 |
| Isolated Toll-like receptor transmembrane domains are capable of oligomerization JI Godfroy III, M Roostan, YS Moroz, IV Korendovych, H Yin PloS one 7 (11), e48875, 2012 | 110 | 2012 |
| Structure-based discovery of nonopioid analgesics acting through the α2A-adrenergic receptor EA Fink, J Xu, H Hübner, JM Braz, P Seemann, C Avet, V Craik, D Weikert, ... Science 377 (6614), eabn7065, 2022 | 95 | 2022 |
| Copper-containing catalytic amyloids promote phosphoester hydrolysis and tandem reactions Z Lengyel, CM Rufo, YS Moroz, OV Makhlynets, IV Korendovych ACS catalysis 8 (1), 59-62, 2018 | 93 | 2018 |
| Iterative computational design and crystallographic screening identifies potent inhibitors targeting the Nsp3 macrodomain of SARS-CoV-2 S Gahbauer, GJ Correy, M Schuller, MP Ferla, YU Doruk, M Rachman, ... Proceedings of the National Academy of Sciences 120 (2), e2212931120, 2023 | 83 | 2023 |
| Synthesis and structure of [2× 2] molecular grid copper (II) and nickel (II) complexes with a new polydentate oxime-containing Schiff base ligand YS Moroz, K Kulon, M Haukka, E Gumienna-Kontecka, H Kozłowski, ... Inorganic chemistry 47 (13), 5656-5665, 2008 | 83 | 2008 |
| Evolution of commercially available compounds for HTS DM Volochnyuk, SV Ryabukhin, YS Moroz, O Savych, A Chuprina, ... Drug Discovery Today 24 (2), 390-402, 2019 | 81 | 2019 |
| New tricks for old proteins: single mutations in a nonenzymatic protein give rise to various enzymatic activities YS Moroz, TT Dunston, OV Makhlynets, OV Moroz, Y Wu, JH Yoon, ... Journal of the American Chemical Society 137 (47), 14905-14911, 2015 | 78 | 2015 |
| Sulfonyl fluorides as alternative to sulfonyl chlorides in parallel synthesis of aliphatic sulfonamides AV Bogolubsky, YS Moroz, PK Mykhailiuk, SE Pipko, AI Konovets, ... ACS Combinatorial Science 16 (4), 192-197, 2014 | 76 | 2014 |
| A multi-pronged approach targeting SARS-CoV-2 proteins using ultra-large virtual screening C Gorgulla, KMP Das, KE Leigh, M Cespugli, PD Fischer, ZF Wang, ... Iscience 24 (2), 2021 | 69 | 2021 |
| Regular high-nuclearity species from square building blocks: a triangular 3×[2× 2] Ni12 complex generated by the self-assembly of three [2× 2] Ni4 molecular grids YS Moroz, S Demeshko, M Haukka, A Mokhir, U Mitra, M Stocker, ... Inorganic Chemistry 51 (14), 7445-7447, 2012 | 68 | 2012 |
| One-Pot Synthesis of a New Magnetically Coupled Heterometallic Cu2Mn2 [2 × 2] Molecular Grid YS Moroz, Ł Szyrwiel, S Demeshko, H Kozłowski, F Meyer, IO Fritsky Inorganic chemistry 49 (11), 4750-4752, 2010 | 64 | 2010 |
Ivan KorendovychJames R. Schofield Endowed Chair in Biochemistry at Baylor UniversityEmail verificata su baylor.edu