Moroz, Yurii S.

Ultra-large library docking for discovering new chemotypes

Lyu, J., Wang, S., Balius, T. E., Singh, I., Levit, A., Moroz, Y. S., O’Meara, M. J., Che, T., Algaa, E., Tolmachova, K., et al. (2019) · Nature

Computational Drug Discovery MethodsSynthesis and Characterization of Heterocyclic Compounds

Cited by 998

Synthon-based ligand discovery in virtual libraries of over 11 billion compounds

Sadybekov, A. A., Sadybekov, A. V., Liu, Y., Iliopoulos-Tsoutsouvas, C., Huang, X.-P., Pickett, J., Houser, B., Patel, N., Tran, N. K., Tong, F., et al. (2022) · Nature

Computational Drug Discovery MethodsChemical Synthesis and Analysis

Cited by 417

ZINC-22─A Free Multi-Billion-Scale Database of Tangible Compounds for Ligand Discovery

Tingle, B. I., Tang, K. G., Castanon, M., Gutierrez, J. J., Khurelbaatar, M., Dandarchuluun, C., Moroz, Y. S., & Irwin, J. J. (2023) · Journal of Chemical Information and Modeling

Computational Drug Discovery MethodsMachine Learning in Materials Science

Cited by 314

Structures of the σ2 receptor enable docking for bioactive ligand discovery

Alon, A., Lyu, J., Braz, J. M., Tummino, T. A., Craik, V., O’Meara, M. J., Webb, C. M., Radchenko, D. S., Moroz, Y. S., Huang, X.-P., et al. (2021) · Nature

Pharmacological Receptor Mechanisms and EffectsReceptor Mechanisms and Signaling

Cited by 211