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D-Index & Metrics

Chemistry

D-Index
69
Citations
17175
World Ranking
6186
National Ranking
1110

Overview

Xiaojun Yao is affiliated with Macau University of Science and Technology in China and focuses research on biochemistry, genetics, and molecular biology as well as engineering. The scientist's work spans multiple subfields including molecular biology, electrical and electronic engineering, materials chemistry, computational theory and mathematics, and civil and structural engineering.

The primary research topics covered by Xiaojun Yao include computational drug discovery methods, protein structure and dynamics, machine learning applications in materials science, supercapacitor materials and fabrication, conducting polymers and applications, advanced battery technologies research, and perovskite materials and applications.

Frequent publication venues for Yao's research comprise:

  • ACS Chemical Neuroscience
  • SSRN Electronic Journal
  • Journal of Power Sources
  • Briefings in Bioinformatics
  • Physical Chemistry Chemical Physics

Among recent publications are:

  • MolAICal: a soft tool for 3D drug design of protein targets by artificial intelligence and classical algorithm, 2020, Briefings in Bioinformatics
  • Nrf2: a dark horse in Alzheimer's disease treatment, 2020, Ageing Research Reviews
  • Comprehensive Evaluation of Fourteen Docking Programs on Protein-Peptide Complexes, 2020, Journal of Chemical Theory and Computation
  • Application advances of deep learning methods for de novo drug design and molecular dynamics simulation, 2021, Wiley Interdisciplinary Reviews Computational Molecular Science
  • An effective self-supervised framework for learning expressive molecular global representations to drug discovery, 2021, Briefings in Bioinformatics

Yao has collaborated frequently with a selected group of co-authors, notably:

  • Huanxiang Liu
  • Chunyang Jia
  • Mengxuan Sun
  • Shuoyan Tan
  • Jianxing Xia

The research contributions of Xiaojun Yao bridge several disciplines, emphasizing the integration of computational methods and experimental approaches within molecular biology and engineering contexts. The scientist's work has been disseminated largely through peer-reviewed journals specializing in bioinformatics, chemical neuroscience, and materials science, indicating a multidisciplinary scope with practical implications in drug design, molecular modeling, and advanced material technologies.

Best Publications

  • Molecular dynamics simulations and novel drug discovery.

    Xuewei Liu;Danfeng Shi;Shuangyan Zhou;Hongli Liu

  • Probing the Binding of Scutellarin to Human Serum Albumin by Circular Dichroism, Fluorescence Spectroscopy, FTIR, and Molecular Modeling Method

    Jianniao Tian;Jiaqin Liu;Wenying He;Zhide Hu

  • Comparative study of QSAR/QSPR correlations using support vector machines, radial basis function neural networks, and multiple linear regression.

    Xiaojun Yao;Annick Panaye;Jean-Pierre Doucet;Ruisheng Zhang

  • What Contributes to Serotonin-Norepinephrine Reuptake Inhibitors' Dual-Targeting Mechanism? The Key Role of Transmembrane Domain 6 in Human Serotonin and Norepinephrine Transporters Revealed by Molecular Dynamics Simulation.

    Weiwei Xue;Weiwei Xue;Fengyuan Yang;Fengyuan Yang;Panpan Wang;Panpan Wang;Guoxun Zheng;Guoxun Zheng

  • A retrievable and highly selective fluorescent probe for monitoring sulfide and imaging in living cells.

    Fengping Hou;Liang Huang;Pinxian Xi;Ju Cheng

  • Applicability domains for classification problems: Benchmarking of distance to models for Ames mutagenicity set.

    Iurii Sushko;Sergii Novotarskyi;Robert Körner;Anil Kumar Pandey

  • MolAICal: a soft tool for 3D drug design of protein targets by artificial intelligence and classical algorithm.

    Qifeng Bai;Shuoyan Tan;Tingyang Xu;Huanxiang Liu

  • Tröger’s base-functionalised organic nanoporous polymer for heterogeneous catalysis

    Xin Du;Yalei Sun;Bien Tan;Qingfeng Teng

  • Nrf2: a dark horse in Alzheimer's disease treatment.

    Alsiddig Osama;Junmin Zhang;Juan Yao;Xiaojun Yao;Xiaojun Yao

  • Near-Infrared and Naked-Eye Fluorescence Probe for Direct and Highly Selective Detection of Cysteine and Its Application in Living Cells

    Unknown

  • Naked-Eye and Near-Infrared Fluorescence Probe for Hydrazine and Its Applications in In Vitro and In Vivo Bioimaging

    Unknown

  • Accurate quantitative structure-property relationship model to predict the solubility of C60 in various solvents based on a novel approach using a least-squares support vector machine.

    Huanxiang Liu;Xiaojun Yao;Ruisheng Zhang;Mancang Liu

  • A selective, cell-permeable fluorescent probe for Al3+ in living cells.

    Lina Wang;Wenwu Qin;Xiaoliang Tang;Wei Dou

  • Diagnosing breast cancer based on support vector machines.

    Huanxiang Liu;Ruisheng Zhang;Feng Luan;Xiaojun Yao

  • Prediction of the isoelectric point of an amino acid based on GA-PLS and SVMs.

    Huanxiang Liu;Ruisheng Zhang;Xiaojun Yao;Mancang Liu

  • A study of the binding of C.I. Direct Yellow 9 to human serum albumin using optical spectroscopy and molecular modeling

    Yuanyuan Yue;Xingguo Chen;Jin Qin;Xiaojun Yao

  • Computational identification of the binding mechanism of a triple reuptake inhibitor amitifadine for the treatment of major depressive disorder.

    Weiwei Xue;Weiwei Xue;Panpan Wang;Panpan Wang;Gao Tu;Gao Tu;Fengyuan Yang;Fengyuan Yang

  • Application of a CC Bond‐Forming Conjugate Addition Reaction in Asymmetric Dearomatization of β‐Naphthols

    Dongxu Yang;Linqing Wang;Ming Kai;Dan Li

  • Interaction of erucic acid with bovine serum albumin using a multi-spectroscopic method and molecular docking technique.

    Yang Shu;Weiwei Xue;Xiaoying Xu;Zhimin Jia

  • Application advances of deep learning methods for de novo drug design and molecular dynamics simulation

    Qifeng Bai;Shuo Liu;Yanan Tian;Tingyang Xu

  • Spectroscopic investigation on the binding of antineoplastic drug oxaliplatin to human serum albumin and molecular modeling.

    Yuanyuan Yue;Xingguo Chen;Jin Qin;Xiaojun Yao

  • A retrievable and highly selective fluorescent sensor for detecting copper and sulfide

    Cunji Gao;Xiao Liu;Xiaojie Jin;Jiang Wu

  • Molecular modeling and spectroscopic studies on the binding of guaiacol to human immunoglobulin

    Wenying He;Ying Li;Hongzong Si;Yuming Dong

  • QSAR models for the prediction of binding affinities to human serum albumin using the heuristic method and a support vector machine.

    C. X. Xue;Ruisheng Zhang;Huanxiang Liu;Xiaojun Yao

Frequent Co-Authors

Huanxiang Liu
Huanxiang Liu Lanzhou University
Zhide Hu
Zhide Hu Lanzhou University
Feng Zhu
Feng Zhu Zhejiang University
Yu Zong Chen
Yu Zong Chen National University of Singapore
Jianguo Fang
Jianguo Fang Lanzhou University
Weisheng Liu
Weisheng Liu Lanzhou University
Xingguo Chen
Xingguo Chen Lanzhou University
Junzhou Huang
Junzhou Huang The University of Texas at Arlington
Yu Tang
Yu Tang Lanzhou University
Liang Huang
Liang Huang Huazhong University of Science and Technology

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