Jiankun Lyu

8.0k total citations · 4 hit papers
15 papers, 1.7k citations indexed

About

Jiankun Lyu is a scholar working on Molecular Biology, Organic Chemistry and Computational Theory and Mathematics. According to data from OpenAlex, Jiankun Lyu has authored 15 papers receiving a total of 1.7k indexed citations (citations by other indexed papers that have themselves been cited), including 13 papers in Molecular Biology, 5 papers in Organic Chemistry and 4 papers in Computational Theory and Mathematics. Recurrent topics in Jiankun Lyu's work include Computational Drug Discovery Methods (4 papers), Cancer therapeutics and mechanisms (4 papers) and Chemical Synthesis and Analysis (3 papers). Jiankun Lyu is often cited by papers focused on Computational Drug Discovery Methods (4 papers), Cancer therapeutics and mechanisms (4 papers) and Chemical Synthesis and Analysis (3 papers). Jiankun Lyu collaborates with scholars based in United States, China and Ukraine. Jiankun Lyu's co-authors include Brian K. Shoichet, John J. Irwin, Bryan L. Roth, Trent E. Balius, Tao Che, Yurii S. Moroz, Matthew J. O’Meara, Anat Levit, Isha Singh and Sheng Wang and has published in prestigious journals such as Nature, Science and Cell.

In The Last Decade

Jiankun Lyu

15 papers receiving 1.7k citations

Hit Papers

Ultra-large library docking for discovering new chemotypes 2019 2026 2021 2023 2019 2021 2020 2023 200 400 600
What are hit papers?

Hit papers significantly outperform the citation benchmark for their cohort. A paper qualifies if it has ≥500 total citations, achieves ≥1.5× the top-1% citation threshold for papers in the same subfield and year (this is the minimum needed to enter the top 1%, not the average within it), or reaches the top citation threshold in at least one of its specific research topics.

  1. Ultra-large library docking for discovering new chemotypes
    2019 619 citations Jiankun Lyu, Sheng Wang et al. Nature profile →
  2. A practical guide to large-scale docking
    2021 310 citations Brian J. Bender, Stefan Gahbauer et al. Nature Protocols profile →
  3. Structure of a Hallucinogen-Activated Gq-Coupled 5-HT2A Serotonin Receptor
    2020 306 citations Kuglae Kim, Tao Che et al. Cell profile →
  4. Modeling the expansion of virtual screening libraries
    2023 96 citations Jiankun Lyu, John J. Irwin et al. Nature Chemical Biology profile →

Peers

Jiankun Lyu
Thuy Tran United States
Jérôme Hert Switzerland
Simon F. Semus United States
Albert J. Kooistra Netherlands
Jacques Hamon Switzerland
Trent E. Balius United States
Karina Martínez‐Mayorga Mexico
Ottavia Spiga Italy
Marcel Bermúdez Germany
Yongfeng Liu China
Thuy Tran United States
Jiankun Lyu
Citations per year, relative to Jiankun Lyu Jiankun Lyu (= 1×) peers Thuy Tran

Countries citing papers authored by Jiankun Lyu

Since Specialization
Citations

This map shows the geographic impact of Jiankun Lyu's research. It shows the number of citations coming from papers published by authors working in each country. You can also color the map by specialization and compare the number of citations received by Jiankun Lyu with the expected number of citations based on a country's size and research output (numbers larger than one mean the country cites Jiankun Lyu more than expected).

Fields of papers citing papers by Jiankun Lyu

Since Specialization
Physical SciencesHealth SciencesLife SciencesSocial Sciences

This network shows the impact of papers produced by Jiankun Lyu. Nodes represent research fields, and links connect fields that are likely to share authors. Colored nodes show fields that tend to cite the papers produced by Jiankun Lyu. The network helps show where Jiankun Lyu may publish in the future.

Co-authorship network of co-authors of Jiankun Lyu

This figure shows the co-authorship network connecting the top 25 collaborators of Jiankun Lyu. A scholar is included among the top collaborators of Jiankun Lyu based on the total number of citations received by their joint publications. Widths of edges represent the number of papers authors have co-authored together. Node borders signify the number of papers an author published with Jiankun Lyu. Jiankun Lyu is excluded from the visualization to improve readability, since they are connected to all nodes in the network.

All Works

15 of 15 papers shown
1.
Chen, G., Catherine Bryant, Brandon Lam, et al.. (2025). AlphaFold3 for Structure-guided Ligand Discovery. bioRxiv (Cold Spring Harbor Laboratory). 1 indexed citations
2.
Liu, Fangyu, Cheng-Guo Wu, Chia‐Ling Tu, et al.. (2024). Large library docking identifies positive allosteric modulators of the calcium-sensing receptor. Science. 385(6715). eado1868–eado1868. 18 indexed citations
3.
Scott, Kevin A., Hiroyuki Kojima, Nathalie Ropek, et al.. (2024). Covalent targeting of splicing in T cells. Cell chemical biology. 32(1). 201–218.e17. 5 indexed citations
4.
Lyu, Jiankun, John J. Irwin, & Brian K. Shoichet. (2023). Modeling the expansion of virtual screening libraries. Nature Chemical Biology. 19(6). 712–718. 96 indexed citations breakdown →
5.
Alon, Assaf, Jiankun Lyu, João M. Bráz, et al.. (2021). Structures of the σ2 receptor enable docking for bioactive ligand discovery. Nature. 600(7890). 759–764. 135 indexed citations
6.
Bender, Brian J., Stefan Gahbauer, Andreas Luttens, et al.. (2021). A practical guide to large-scale docking. Nature Protocols. 16(10). 4799–4832. 310 indexed citations breakdown →
7.
Stein, Reed M., Yang Ying, Trent E. Balius, et al.. (2021). Property-Unmatched Decoys in Docking Benchmarks. Journal of Chemical Information and Modeling. 61(2). 699–714. 68 indexed citations
8.
Kim, Kuglae, Tao Che, Ouliana Panova, et al.. (2020). Structure of a Hallucinogen-Activated Gq-Coupled 5-HT2A Serotonin Receptor. Cell. 182(6). 1574–1588.e19. 306 indexed citations breakdown →
9.
Lyu, Jiankun, Sheng Wang, Trent E. Balius, et al.. (2019). Ultra-large library docking for discovering new chemotypes. Nature. 566(7743). 224–229. 619 indexed citations breakdown →
10.
11.
Weiss, Dahlia R., Joel Karpiak, Xi‐Ping Huang, et al.. (2018). Selectivity Challenges in Docking Screens for GPCR Targets and Antitargets. Journal of Medicinal Chemistry. 61(15). 6830–6845. 30 indexed citations
12.
13.
Sun, Deheng, Yang Yu, Jiankun Lyu, et al.. (2016). Discovery and Rational Design of Pteridin-7(8H)-one-Based Inhibitors Targeting FMS-like Tyrosine Kinase 3 (FLT3) and Its Mutants. Journal of Medicinal Chemistry. 59(13). 6187–6200. 23 indexed citations
14.
Quan, Lina, Jiankun Lyu, Xia Wang, et al.. (2016). Discovery of peptide inhibitors targeting human programmed death 1 (PD-1) receptor. Oncotarget. 7(40). 64967–64976. 48 indexed citations
15.
Tan, Shaoying, Deheng Sun, Jiankun Lyu, et al.. (2015). Antiproliferative and apoptosis-inducing activities of novel naphthalimide–cyclam conjugates through dual topoisomerase (topo) I/II inhibition. Bioorganic & Medicinal Chemistry. 23(17). 5672–5680. 25 indexed citations

Rankless uses publication and citation data sourced from OpenAlex, an open and comprehensive bibliographic database. While OpenAlex provides broad and valuable coverage of the global research landscape, it—like all bibliographic datasets—has inherent limitations. These include incomplete records, variations in author disambiguation, differences in journal indexing, and delays in data updates. As a result, some metrics and network relationships displayed in Rankless may not fully capture the entirety of a scholar's output or impact.

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