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Jiankun Lyu
Jiankun Lyu
Assistant Professor at the Rockefeller University
Verified email at rockefeller.edu - Homepage
Title
Cited by
Cited by
Year
A SARS-CoV-2 protein interaction map reveals targets for drug repurposing
DE Gordon, GM Jang, M Bouhaddou, J Xu, K Obernier, KM White, ...
Nature 583 (7816), 459-468, 2020
43222020
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
7342019
Structure of a hallucinogen-activated Gq-coupled 5-HT2A serotonin receptor
K Kim, T Che, O Panova, JF DiBerto, J Lyu, BE Krumm, D Wacker, ...
Cell 182 (6), 1574-1588. e19, 2020
3172020
A practical guide to large-scale docking
BJ Bender, S Gahbauer, A Luttens, J Lyu, CM Webb, RM Stein, EA Fink, ...
Nature protocols 16 (10), 4799-4832, 2021
2622021
Drug-induced phospholipidosis confounds drug repurposing for SARS-CoV-2
TA Tummino, VV Rezelj, B Fischer, A Fischer, MJ O’meara, B Monel, ...
Science 373 (6554), 541-547, 2021
1612021
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
1282021
Property-unmatched decoys in docking benchmarks
RM Stein, Y Yang, TE Balius, MJ O’Meara, J Lyu, J Young, K Tang, ...
Journal of chemical information and modeling 61 (2), 699-714, 2021
652021
Modeling the expansion of virtual screening libraries
J Lyu, JJ Irwin, BK Shoichet
Nature Chemical Biology 19 (6), 712-718, 2023
582023
A SARS-CoV-2 protein interaction map reveals targets for drug repurposing A SARS-CoV-2 protein interaction map reveals targets for drug repurposing
DE Gordon, GM Jang, M Bouhaddou, J Xu, K Obernier, KM White, ...
Nature 583, 459-468, 2020
562020
Discovery of peptide inhibitors targeting human programmed death 1 (PD-1) receptor
Q Li, L Quan, J Lyu, Z He, X Wang, J Meng, Z Zhao, L Zhu, X Liu, H Li
Oncotarget 7 (40), 64967, 2016
482016
Selectivity challenges in docking screens for GPCR targets and antitargets
DR Weiss, J Karpiak, XP Huang, MF Sassano, J Lyu, BL Roth, ...
Journal of medicinal chemistry 61 (15), 6830-6845, 2018
372018
Design, Synthesis, and Biological Evaluation of Pyrimido[4,5-d]pyrimidine-2,4(1H,3H)-diones as Potent and Selective Epidermal Growth Factor Receptor (EGFR…
Y Hao, J Lyu, R Qu, Y Tong, D Sun, F Feng, L Tong, T Yang, Z Zhao, ...
Journal of Medicinal Chemistry 61 (13), 5609-5622, 2018
332018
Discovery and Rational Design of Pteridin-7(8H)-one-Based Inhibitors Targeting FMS-like Tyrosine Kinase 3 (FLT3) and Its Mutants
D Sun, Y Yang, J Lyu, W Zhou, W Song, Z Zhao, Z Chen, Y Xu, H Li
Journal of Medicinal Chemistry 59 (13), 6187-6200, 2016
292016
Antiproliferative and apoptosis-inducing activities of novel naphthalimide–cyclam conjugates through dual topoisomerase (topo) I/II inhibition
S Tan, D Sun, J Lyu, X Sun, F Wu, Q Li, Y Yang, J Liu, X Wang, Z Chen, ...
Bioorganic & Medicinal Chemistry 23 (17), 5672-5680, 2015
282015
Structure-Guided Design of C4-alkyl-1,4-dihydro-2H-pyrimido[4,5-d][1,3]oxazin-2-ones as Potent and Mutant-Selective Epidermal Growth Factor Receptor (EGFR…
Y Hao, J Lyu, R Qu, D Sun, Z Zhao, Z Chen, J Ding, H Xie, Y Xu, H Li
Scientific Reports 7 (1), 3830, 2017
102017
Phospholipidosis is a shared mechanism underlying the in vitro antiviral activity of many repurposed drugs against SARS-CoV-2
TA Tummino, VV Rezelj, B Fischer, A Fischer, MJ O’Meara, B Monel, ...
bioRxiv, 2021
92021
Large library docking for novel SARS‐CoV‐2 main protease non‐covalent and covalent inhibitors
EA Fink, C Bardine, S Gahbauer, I Singh, TC Detomasi, K White, S Gu, ...
Protein Science 32 (8), e4712, 2023
82023
Crystal structures of the σ2 receptor template large-library docking for selective chemotypes active in vivo
A Alon, J Lyu, JM Braz, TA Tummino, V Craik, MJ O’Meara, CM Webb, ...
bioRxiv, 2021.04. 29.441652, 2021
72021
Publisher Correction: A practical guide to large-scale docking
BJ Bender, S Gahbauer, A Luttens, J Lyu, CM Webb, RM Stein, EA Fink, ...
Nature protocols 17 (1), 177, 2022
22022
AlphaFold2 structures template ligand discovery
J Lyu, N Kapolka, R Gumpper, A Alon, L Wang, MK Jain, X Barros-lvarez, ...
bioRxiv, 2023.12. 20.572662, 2023
12023
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