ZINC20A Free Ultralarge-Scale Chemical Database for Ligand Discovery von Irwin, John J, Tang, Khanh G, Young, Jennifer, Dandarchuluun, Chinzorig, Wong, Benjamin R, Khurelbaatar, Munkhzul, Moroz, Yurii S, Mayfield, John, Sayle, Roger A

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Ultra-large library docking for discovering new chemotypes von Lyu, Jiankun, Wang, Sheng, Balius, Trent E., Singh, Isha, Levit, Anat, Moroz, Yurii S., O’Meara, Matthew J., Che, Tao, Algaa, Enkhjargal, Tolmachova, Kateryna, Tolmachev, Andrey A., Shoichet, Brian K., Roth, Bryan L., Irwin, John J.

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The challenge of balancing model sensitivity and robustness in predicting yields: a benchmarking study of amide coupling reactions von Liu, Zhen, Moroz, Yurii S, Isayev, Olexandr

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Population-based metagenomics analysis reveals markers for gut microbiome composition and diversity von Zhernakova, Alexandra, Kurilshikov, Alexander, Bonder, Marc Jan, Tigchelaar, Ettje F., Schirmer, Melanie, Vatanen, Tommi, Mujagic, Zlatan, Vila, Arnau Vich, Falony, Gwen, Vieira-Silva, Sara, Wang, Jun, Imhann, Floris, Brandsma, Eelke, Jankipersadsing, Soesma A., Joossens, Marie, Cenit, Maria Carmen, Deelen, Patrick, Swertz, Morris A., study, LifeLines cohort, Weersma, Rinse K., Feskens, Edith J. M., Netea, Mihai G., Gevers, Dirk, Jonkers, Daisy, Franke, Lude, Aulchenko, Yurii S., Huttenhower, Curtis, Raes, Jeroen, Hofker, Marten H., Xavier, Ramnik J., Wijmenga, Cisca, Fu, Jingyuan

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Virtual discovery of melatonin receptor ligands to modulate circadian rhythms von Stein, Reed M., Kang, Hye Jin, McCorvy, John D., Glatfelter, Grant C., Jones, Anthony J., Che, Tao, Slocum, Samuel, Huang, Xi-Ping, Savych, Olena, Moroz, Yurii S., Stauch, Benjamin, Johansson, Linda C., Cherezov, Vadim, Kenakin, Terry, Irwin, John J., Shoichet, Brian K., Roth, Bryan L., Dubocovich, Margarita L.

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ProbABEL package for genome-wide association analysis of imputed data von Aulchenko, Yurii S, Struchalin, Maksim V, van Duijn, Cornelia M

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Structures of the σ2 receptor enable docking for bioactive ligand discovery von Alon, Assaf, Lyu, Jiankun, Braz, Joao M., Tummino, Tia A., Craik, Veronica, O’Meara, Matthew J., Webb, Chase M., Radchenko, Dmytro S., Moroz, Yurii S., Huang, Xi-Ping, Liu, Yongfeng, Roth, Bryan L., Irwin, John J., Basbaum, Allan I., Shoichet, Brian K., Kruse, Andrew C.

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GenABEL: an R library for genome-wide association analysis von Aulchenko, Yurii S., Ripke, Stephan, Isaacs, Aaron, van Duijn, Cornelia M.

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An open-source drug discovery platform enables ultra-large virtual screens von Gorgulla, Christoph, Boeszoermenyi, Andras, Wang, Zi-Fu, Fischer, Patrick D., Coote, Paul W., Padmanabha Das, Krishna M., Malets, Yehor S., Radchenko, Dmytro S., Moroz, Yurii S., Scott, David A., Fackeldey, Konstantin, Hoffmann, Moritz, Iavniuk, Iryna, Wagner, Gerhard, Arthanari, Haribabu

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Synthon-based ligand discovery in virtual libraries of over 11 billion compounds von Sadybekov, Arman A., Sadybekov, Anastasiia V., Liu, Yongfeng, Iliopoulos-Tsoutsouvas, Christos, Huang, Xi-Ping, Pickett, Julie, Houser, Blake, Patel, Nilkanth, Tran, Ngan K., Tong, Fei, Zvonok, Nikolai, Jain, Manish K., Savych, Olena, Radchenko, Dmytro S., Nikas, Spyros P., Petasis, Nicos A., Moroz, Yurii S., Roth, Bryan L., Makriyannis, Alexandros, Katritch, Vsevolod

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Structure and Luminescent Properties of Glasses in the GeS2-Ga2S3-Sb2S3:Pr3+ System von Tverjanovich, Andrey, Tveryanovich, Yurii S., Shahbazova, Christina

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Evolution of commercially available compounds for HTS von Volochnyuk, Dmitriy M., Ryabukhin, Sergey V., Moroz, Yurii S., Savych, Olena, Chuprina, Alexander, Horvath, Dragos, Zabolotna, Yuliana, Varnek, Alexandre, Judd, Duncan B.

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Genomewide Rapid Association Using Mixed Model and Regression: A Fast and Simple Method For Genomewide Pedigree-Based Quantitative Trait Loci Association Analysis von Aulchenko, Yurii S, de Koning, Dirk-Jan, Haley, Chris

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ZINC-22─A Free Multi-Billion-Scale Database of Tangible Compounds for Ligand Discovery von Tingle, Benjamin I, Tang, Khanh G, Castanon, Mar, Gutierrez, John J, Khurelbaatar, Munkhzul, Dandarchuluun, Chinzorig, Moroz, Yurii S, Irwin, John J

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Generating Multibillion Chemical Space of Readily Accessible Screening Compounds von Grygorenko, Oleksandr O., Radchenko, Dmytro S., Dziuba, Igor, Chuprina, Alexander, Gubina, Kateryna E., Moroz, Yurii S.

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Copper-Containing Catalytic Amyloids Promote Phosphoester Hydrolysis and Tandem Reactions von Lengyel, Zsófia, Rufo, Caroline M, Moroz, Yurii S, Makhlynets, Olga V, Korendovych, Ivan V

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A protocol for recruiting and analyzing the disease-oriented Russian disc degeneration study (RuDDS) biobank for functional omics studies of lumbar disc degeneration von Leonova, Olga N, Elgaeva, Elizaveta E, Golubeva, Tatiana S, Peleganchuk, Alexey V, Krutko, Aleksandr V, Aulchenko, Yurii S, Tsepilov, Yakov A

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Optimizing the Business Processes of Marketing Department with the Help of Information Technologies von Semenenko, Yurii S.

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Short peptides self-assemble to produce catalytic amyloids von Rufo, Caroline M., Moroz, Yurii S., Moroz, Olesia V., Stöhr, Jan, Smith, Tyler A., Hu, Xiaozhen, DeGrado, William F., Korendovych, Ivan V.

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A Close-up Look at the Chemical Space of Commercially Available Building Blocks for Medicinal Chemistry von Zabolotna, Yuliana, Volochnyuk, Dmitriy M, Ryabukhin, Sergey V, Horvath, Dragos, Gavrilenko, Konstantin S, Marcou, Gilles, Moroz, Yurii S, Oksiuta, Oleksandr, Varnek, Alexandre

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