Lyu, Jiankun

A SARS-CoV-2 protein interaction map reveals targets for drug repurposing

Gordon, D. E., Jang, G. M., Bouhaddou, M., Xu, J., Obernier, K., White, K. M., O’Meara, M. J., Rezelj, V. V., Guo, J. Z., Swaney, D. L., et al. (2020) · Nature

SARS-CoV-2 and COVID-19 ResearchComputational Drug Discovery Methods

Cited by 4,405

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

A practical guide to large-scale docking

Bender, B. J., Gahbauer, S., Luttens, A., Lyu, J., Webb, C. M., Stein, R. M., Fink, E. A., Balius, T. E., Carlsson, J., Irwin, J. J., et al. (2021) · Nature Protocols

Computational Drug Discovery MethodsReceptor Mechanisms and Signaling

Cited by 546

Structure of a Hallucinogen-Activated Gq-Coupled 5-HT2A Serotonin Receptor

Kim, K., Che, T., Panova, O., DiBerto, J. F., Lyu, J., Krumm, B. E., Wacker, D., Robertson, M. J., Seven, A. B., Nichols, D. E., et al. (2020) · Cell

Receptor Mechanisms and SignalingPsychedelics and Drug Studies

Cited by 481

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

Modeling the expansion of virtual screening libraries

Lyu, J., Irwin, J. J., & Shoichet, B. K. (2023) · Nature Chemical Biology

Computational Drug Discovery MethodsChemical Synthesis and Analysis

Cited by 193