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Lyu, Jiankun
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1

AlphaFold2 structures guide prospective ligand discovery:

Lyu, Jiankun ; Kapolka, Nicholas ; Gumpper, Ryan...
Science.  384 (2024)  6702 - p. , 2024
Link: https://doi.org/10.1126/..
 
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2

Large library docking for novel SARS‐CoV‐2 main protease no..:

Fink, Elissa A. ; Bardine, Conner ; Gahbauer, Stefan...
Protein Science.  32 (2023)  8 - p. , 2023
Link: https://doi.org/10.1002/..
 
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3

Modeling the expansion of virtual screening libraries:

Lyu, Jiankun ; Irwin, John J. ; Shoichet, Brian K.
Nature Chemical Biology.  , 2023
Link: https://doi.org/10.1038/..
 
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4

Active Deep Learning Technique for Underwater Target Recogn..:

, In: OCEANS 2022, Hampton Roads,
Lyu, Jiankun ; Jiang, Longyu ; Yang, Chao. - p. 1-9 , 2022
Link: https://doi.org/10.1109/..
 
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5

Publisher Correction: A practical guide to large-scale dock..:

Bender, Brian J. ; Gahbauer, Stefan ; Luttens, Andreas...
Nature Protocols.  17 (2021)  1 - p. 177-177 , 2021
Link: https://doi.org/10.1038/..
 
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6

Drug-induced phospholipidosis confounds drug repurposing fo..:

Tummino, Tia A. ; Rezelj, Veronica V. ; Fischer, Benoit...
Science.  373 (2021)  6554 - p. 541-547 , 2021
Link: https://doi.org/10.1126/..
 
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7

Property-Unmatched Decoys in Docking Benchmarks:

Stein, Reed M. ; Yang, Ying ; Balius, Trent E....
Journal of Chemical Information and Modeling.  61 (2021)  2 - p. 699-714 , 2021
Link: https://doi.org/10.1021/..
 
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8

A practical guide to large-scale docking:

Bender, Brian J. ; Gahbauer, Stefan ; Luttens, Andreas...
Nature Protocols.  16 (2021)  10 - p. 4799-4832 , 2021
Link: https://doi.org/10.1038/..
 
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9

Structures of the σ2 receptor enable docking for bioactive ..:

Alon, Assaf ; Lyu, Jiankun ; Braz, Joao M....
Nature.  600 (2021)  7890 - p. 759-764 , 2021
Link: https://doi.org/10.1038/..
 
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10

Structure of a Hallucinogen-Activated Gq-Coupled 5-HT2A Ser..:

Kim, Kuglae ; Che, Tao ; Panova, Ouliana...
Cell.  182 (2020)  6 - p. 1574-1588.e19 , 2020
Link: https://doi.org/10.1016/..
 
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11

Ultra-large library docking for discovering new chemotypes:

Lyu, Jiankun ; Wang, Sheng ; Balius, Trent E....
Nature.  566 (2019)  7743 - p. 224-229 , 2019
Link: https://doi.org/10.1038/..
 
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12

Design, Synthesis, and Biological Evaluation of Pyrimido[4,..:

Hao, Yongjia ; Lyu, Jiankun ; Qu, Rong...
Journal of Medicinal Chemistry.  61 (2018)  13 - p. 5609-5622 , 2018
Link: https://doi.org/10.1021/..
 
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13

Selectivity Challenges in Docking Screens for GPCR Targets ..:

Weiss, Dahlia R. ; Karpiak, Joel ; Huang, Xi-Ping...
Journal of Medicinal Chemistry.  61 (2018)  15 - p. 6830-6845 , 2018
Link: https://doi.org/10.1021/..
 
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14

Structure-Guided Design of C4-alkyl-1,4-dihydro-2H-pyrimido..:

Hao, Yongjia ; Lyu, Jiankun ; Qu, Rong...
Scientific Reports.  7 (2017)  1 - p. , 2017
Link: https://doi.org/10.1038/..
 
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15

Discovery of peptide inhibitors targeting human programmed ..:

Li, Qiao ; Quan, Lina ; Lyu, Jiankun...
Oncotarget.  7 (2016)  40 - p. 64967-64976 , 2016
Link: https://doi.org/10.18632..
 
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