引用次数
引用: 6,630
H-指数: 13
I10-指数 : 14
出版物: 24
Property-Unmatched Decoys in Docking Benchmarks.
Reed M Stein , Ying Yang , Trent E Balius , Matt J O’Meara
Journal of Chemical Information and Modeling 61 ( 2) 699 -714
3
2021
Antiproliferative and apoptosis-inducing activities of novel naphthalimide-cyclam conjugates through dual topoisomerase (topo) I/II inhibition.
Shaoying Tan , Deheng Sun , Jiankun Lyu , Xiao Sun
Bioorganic & Medicinal Chemistry 23 ( 17) 5672 -5680
17
2015
Discovery and Rational Design of Pteridin-7(8H)-one-Based Inhibitors Targeting FMS-like Tyrosine Kinase 3 (FLT3) and Its Mutants
Deheng Sun , Yu Yang , Jiankun Lyu , Wei Zhou
Journal of Medicinal Chemistry 59 ( 13) 6187 -6200
15
2016
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) Inhibitors against L858R/T790M Resistance Mutation
Yongjia Hao , Jiankun Lyu , Rong Qu , Yi Tong
Journal of Medicinal Chemistry 61 ( 13) 5609 -5622
11
2018
Selectivity Challenges in Docking Screens for GPCR Targets and Antitargets
Dahlia R. Weiss , Joel Karpiak , Xi-Ping Huang , Maria F. Sassano
Journal of Medicinal Chemistry 61 ( 15) 6830 -6845
13
2018
Discovery of peptide inhibitors targeting human programmed death 1 (PD-1) receptor
Qiao Li , Lina Quan , Jiankun Lyu , Zenghui He
Oncotarget 7 ( 40) 64967 -64976
44
2016
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) L858R/T790M Inhibitors.
Yongjia Hao , Jiankun Lyu , Rong Qu , Deheng Sun
Scientific Reports 7 ( 1) 3830 -3830
4
2017
Structure of a Hallucinogen-Activated Gq-Coupled 5-HT2A Serotonin Receptor
Kuglae Kim , Tao Che , Ouliana Panova , Jeffrey F DiBerto
Cell 182 ( 6)
192
2020
Ultra-large library docking for discovering new chemotypes
Jiankun Lyu , Sheng Wang , Trent E. Balius , Isha Singh
Nature 566 ( 7743) 224 -229
503
2019
A SARS-CoV-2 protein interaction map reveals targets for drug repurposing.
David E Gordon , Gwendolyn M Jang , Mehdi Bouhaddou , Jiewei Xu
Nature 583 ( 7816) 459 -468
3,580
2020
A practical guide to large-scale docking
Brian J Bender , Stefan Gahbauer , Andreas Luttens , Jiankun Lyu
Nature protocols 16 ( 10) 4799 -4832
99
2021
Modeling the expansion of virtual screening libraries
Jiankun Lyu , John J Irwin , Brian K Shoichet
Nature Chemical Biology 1 -7
4
2023
Large library docking for novel SARS-CoV-2 main protease non-covalent and covalent inhibitors
Elissa A Fink , Conner Bardine , Stefan Gahbauer , Isha Singh
Protein Science 32 ( 8) e4712
1
2023
Drug-induced phospholipidosis confounds drug repurposing for SARS-CoV-2
Tia A Tummino , Veronica V Rezelj , Benoit Fischer , Audrey Fischer
Science 373 ( 6554) 541 -547
170
2021
AlphaFold2 structures template ligand discovery
Jiankun Lyu , Nicholas Kapolka , Ryan Gumpper , Assaf Alon
bioRxiv 2023.12. 20.572662 -2023.12. 20.572662
3
2023
AlphaFold2 structures guide prospective ligand discovery
Jiankun Lyu , Nicholas Kapolka , Ryan Gumpper , Assaf Alon
Science eadn6354 -eadn6354
1
2024
Structure-based discovery of positive allosteric modulators for the calcium sensing receptor
Fangyu Liu , Cheng-Guo Wu , Chia-Ling Tu , Isabella Glenn
bioRxiv 2023.12. 27.573448 -2023.12. 27.573448
2023
Structures of the σ2 receptor enable docking for bioactive ligand discovery
Assaf Alon , Jiankun Lyu , Joao M Braz , Tia A Tummino
Nature 600 ( 7890) 759 -764
132
2021
Publisher Correction: A practical guide to large-scale docking
Brian J Bender , Stefan Gahbauer , Andreas Luttens , Jiankun Lyu
Nature protocols 17 ( 1) 177 -177
2
2022
A practical guide to large-scale docking (vol 16, pg 4799, 2021)
Brian J Bender , Stefan Gahbauer , Andreas Luttens , Jiankun Lyu
NATURE PROTOCOLS 17 ( 1) 177 -177
1
2022