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 | 746 | 2019 |
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 | 563 | 2014 |
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 | 460 | 2020 |
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 | 435 | 2020 |
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 | 227 | 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 | 206 | 2022 |
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 | 129 | 2021 |
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 | 106 | 2012 |
Generating multibillion chemical space of readily accessible screening compounds OO Grygorenko, DS Radchenko, I Dziuba, A Chuprina, KE Gubina, ... Iscience 23 (11), 2020 | 98 | 2020 |
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 | 87 | 2018 |
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 | 81 | 2008 |
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 | 74 | 2015 |
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 | 70 | 2019 |
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 | 66 | 2014 |
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 | 66 | 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 | 65 | 2022 |
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 | 63 | 2010 |
H 2 O 2 activation with biomimetic non-haem iron complexes and AcOH: Connecting the g= 2.7 EPR signal with a visible chromophore OV Makhlynets, WN Oloo, YS Moroz, IG Belaya, TD Palluccio, AS Filatov, ... Chemical Communications 50 (6), 645-648, 2014 | 61 | 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 | 60 | 2021 |
Painting proteins blue: β-(1-azulenyl)-l-alanine as a probe for studying protein–protein interactions YS Moroz, W Binder, P Nygren, GA Caputo, IV Korendovych Chemical communications 49 (5), 490-492, 2013 | 60 | 2013 |