Xiaojun Yao

20.3k total citations · 4 hit papers
577 papers, 16.8k citations indexed

About

Xiaojun Yao is a scholar working on Molecular Biology, Computational Theory and Mathematics and Organic Chemistry. According to data from OpenAlex, Xiaojun Yao has authored 577 papers receiving a total of 16.8k indexed citations (citations by other indexed papers that have themselves been cited), including 312 papers in Molecular Biology, 135 papers in Computational Theory and Mathematics and 101 papers in Organic Chemistry. Recurrent topics in Xiaojun Yao's work include Computational Drug Discovery Methods (135 papers), Protein Interaction Studies and Fluorescence Analysis (57 papers) and Protein Structure and Dynamics (49 papers). Xiaojun Yao is often cited by papers focused on Computational Drug Discovery Methods (135 papers), Protein Interaction Studies and Fluorescence Analysis (57 papers) and Protein Structure and Dynamics (49 papers). Xiaojun Yao collaborates with scholars based in China, Macao and France. Xiaojun Yao's co-authors include Huanxiang Liu, Zhide Hu, Weiwei Xue, Ruisheng Zhang, Mancang Liu, Chunyang Jia, Danfeng Shi, Shuangyan Zhou, Xingguo Chen and Qifeng Bai and has published in prestigious journals such as Angewandte Chemie International Edition, Nature Communications and The Journal of Chemical Physics.

In The Last Decade

Xiaojun Yao

560 papers receiving 16.6k citations

Hit Papers

align trajectories

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.

Comprehensive evaluation of ten docking programs on a diverse set of protein–ligand complexes: the prediction accuracy of sampling power and scoring power

2016 700 citations Xiaojun Yao et al. profile →
Molecular dynamics simulations and novel drug discovery

2017 357 citations Danfeng Shi, Huanxiang Liu et al. profile →
Characteristic roadmap of linker governs the rational design of PROTACs

2024 56 citations Xiaojun Yao et al. profile →
Artificial intelligence in peptide-based drug design

2025 19 citations Huanxiang Liu, Xiaojun Yao et al. profile →

Peers — A (Enhanced Table)

Peers by citation overlap · career bar shows stage (early→late) cites · hero ref

Name	h						Papers	Cites
Xiaojun Yao China	60	7.7k	3.3k	3.3k	3.0k	2.6k	577	16.8k
Romain M. Wolf Switzerland	26	9.9k 1.3×	2.3k 0.7×	3.1k 0.9×	2.9k 1.0×	1.8k 0.7×	57	18.1k
Jean‐Louis Reymond Switzerland	67	10.8k 1.4×	5.1k 1.5×	4.0k 1.2×	4.1k 1.4×	2.0k 0.8×	406	17.3k
Geoffrey Hutchison United States	32	6.9k 0.9×	4.7k 1.4×	4.3k 1.3×	4.2k 1.4×	1.3k 0.5×	75	20.4k
Noel M. O’Boyle United Kingdom	23	5.0k 0.7×	4.2k 1.3×	4.2k 1.3×	3.7k 1.2×	1.1k 0.4×	45	15.2k
Honglin Li China	51	9.6k 1.2×	2.1k 0.6×	1.4k 0.4×	1.6k 0.5×	1.3k 0.5×	464	15.9k
Hong‐Xing Zhang China	53	3.1k 0.4×	1.1k 0.3×	5.4k 1.6×	2.9k 1.0×	1.9k 0.7×	604	15.9k
Tingjun Hou China	81	16.1k 2.1×	10.6k 3.2×	5.4k 1.7×	3.8k 1.3×	1.5k 0.6×	554	29.3k
Luhua Lai China	61	9.3k 1.2×	5.2k 1.6×	2.1k 0.6×	2.2k 0.8×	692 0.3×	352	15.2k
Woody Sherman United States	51	10.2k 1.3×	5.5k 1.7×	1.8k 0.5×	3.1k 1.1×	716 0.3×	105	16.8k
Pedro Alexandrino Fernandes Portugal	52	6.3k 0.8×	1.6k 0.5×	2.0k 0.6×	2.1k 0.7×	527 0.2×	376	11.8k

Countries citing papers authored by Xiaojun Yao

Since Specialization

Citations

This map shows the geographic impact of Xiaojun Yao'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 Xiaojun Yao with the expected number of citations based on a country's size and research output (numbers larger than one mean the country cites Xiaojun Yao more than expected).

Fields of papers citing papers by Xiaojun Yao

Since Specialization

Physical SciencesHealth SciencesLife SciencesSocial Sciences

This network shows the impact of papers produced by Xiaojun Yao. 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 Xiaojun Yao. The network helps show where Xiaojun Yao may publish in the future.

Co-authorship network of co-authors of Xiaojun Yao

This figure shows the co-authorship network connecting the top 25 collaborators of Xiaojun Yao. A scholar is included among the top collaborators of Xiaojun Yao 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 Xiaojun Yao. Xiaojun Yao is excluded from the visualization to improve readability, since they are connected to all nodes in the network.

All Works

Sort: Min cites: Since: Top N: Style:

20 of 20 papers shown

Yang, Shengbo, et al.. (2024). Quenching method introduced oxygen defect type Zn2V2O7·2H2O for long-life aqueous zinc ion batteries. Journal of Power Sources. 626. 235730–235730. 3 indexed citations

Gong, Xiaoqing, Shuli Li, Junli Huang, et al.. (2024). Discovery of potent LRRK2 inhibitors by ensemble virtual screening strategy and bioactivity evaluation. European Journal of Medicinal Chemistry. 279. 116812–116812. 5 indexed citations

Gao, Yongpeng, Shiyin Liu, Jinliang Wang, et al.. (2024). Characteristics of Musta Glacier surges and their responses to climate change between 1976 and 2023. Advances in Climate Change Research. 16(1). 125–140.

Wang, Jun, Pengyong Li, Yuquan Li, et al.. (2023). Improving drug-target affinity prediction via feature fusion and knowledge distillation. Briefings in Bioinformatics. 24(3). 15 indexed citations

Yao, Xiaojun, et al.. (2023). Theoretical Studies on Selectivity of HPK1/JAK1 Inhibitors by Molecular Dynamics Simulations and Free Energy Calculations. International Journal of Molecular Sciences. 24(3). 2649–2649. 2 indexed citations

Zhuo, Linlin, et al.. (2023). HeadTailTransfer: An efficient sampling method to improve the performance of graph neural network method in predicting sparse ncRNA–protein interactions. Computers in Biology and Medicine. 157. 106783–106783. 18 indexed citations

Hu, Lei, Mengxuan Sun, Xiaohe Ren, et al.. (2023). Methylene blue modified graphene film as high-performance electrode towards all-in-one flexible supercapacitors with “all-graphene” structure. Journal of Power Sources. 591. 233839–233839. 12 indexed citations

Ye, Wenling, Yong‐Xing He, Haiyang Zhong, et al.. (2023). Identification of CBPA as a New Inhibitor of PD-1/PD-L1 Interaction. International Journal of Molecular Sciences. 24(4). 3971–3971. 10 indexed citations

Chen, Tao & Xiaojun Yao. (2023). Cross-correlation-guided operational modal identification of bridge considering asynchronous signals. Structures. 58. 105412–105412.

10.

Liu, Xin, Ji Yang, Xiaojun Yao, et al.. (2019). Linderalides A–D, Disesquiterpenoid–Geranylbenzofuranone Conjugates from Lindera aggregata. The Journal of Organic Chemistry. 84(12). 8242–8247. 22 indexed citations

11.

Zan, Wenyan, Zhuhua Zhang, Yang Yang, et al.. (2018). Width-dependent phase crossover in transition metal dichalcogenide nanoribbons. Nanotechnology. 30(7). 75701–75701. 11 indexed citations

12.

Zhang, Dahong, et al.. (2018). A dataset of main lakes in northwest China with an area above 10 km<sup>2</sup> (2000 – 2014). China Scientific Data. 3(4). 21.86101.1/csdata.2018.0041.zh–21.86101.1/csdata.2018.0041.zh. 1 indexed citations

13.

Xi, Lili, Jia Yao, Yuhui Wei, et al.. (2017). The in silico identification of human bile salt export pump (ABCB11) inhibitors associated with cholestatic drug-induced liver injury. Molecular BioSystems. 13(2). 417–424. 3 indexed citations

14.

Lei, Beilei, et al.. (2017). Structure based in silico identification of potentially non-steroidal brassinosteroids mimics. Molecular BioSystems. 13(7). 1364–1369. 8 indexed citations

15.

Li, Shuyan, Jun Lu, Jiazhong Li, et al.. (2015). HydPred: a novel method for the identification of protein hydroxylation sites that reveals new insights into human inherited disease. Molecular BioSystems. 12(2). 490–498. 8 indexed citations

16.

Wang, Xue, Juan Du, & Xiaojun Yao. (2014). Structural and dynamic basis of acid amido synthetase GH3.1: an investigation of substrate selectivity and major active site access channels. Molecular BioSystems. 11(3). 809–818. 4 indexed citations

17.

Ning, Lulu, Qianqian Wang, Yang Zheng, Huanxiang Liu, & Xiaojun Yao. (2014). Effects of the A117V mutation on the folding and aggregation of palindromic sequences (PrP113–120) in prion: insights from replica exchange molecular dynamics simulations. Molecular BioSystems. 11(2). 647–655. 8 indexed citations

18.

Bai, Qifeng, Danfeng Shi, Yang Zhang, Huanxiang Liu, & Xiaojun Yao. (2014). Exploration of the antagonist CP-376395 escape pathway for the corticotropin-releasing factor receptor 1 by random acceleration molecular dynamics simulations. Molecular BioSystems. 10(7). 1958–1967. 22 indexed citations

19.

Yang, Ying, et al.. (2012). Molecular dynamics and free energy studies on Aurora kinase A and its mutant bound with MLN8054: insight into molecular mechanism of subtype selectivity. Molecular BioSystems. 8(11). 3049–3060. 24 indexed citations

20.

Xue, Weiwei, Ji Qi, Ying Yang, et al.. (2012). Understanding the effect of drug-resistant mutations of HIV-1 intasome on raltegravir action through molecular modeling study. Molecular BioSystems. 8(8). 2135–2144. 23 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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