World's Best Scientists 2026 revealed!

D-Index & Metrics

Chemistry

D-Index
48
Citations
11023
World Ranking
15079
National Ranking
2339

Overview

Xiaomin Luo is affiliated with the Chinese Academy of Sciences in China and has a substantial record of research contributions in the fields of Biochemistry, Genetics, and Molecular Biology as well as Medicine. Their work spans multiple subfields including Molecular Biology, Computational Theory and Mathematics, Materials Chemistry, Oncology, and Pharmacology.

The primary topics of their research focus on Computational Drug Discovery Methods, Machine Learning in Materials Science, Protein Degradation and Inhibitors, Protein Structure and Dynamics, Crystallization and Solubility Studies, Ubiquitin and Proteasome Pathways, and Liver Disease Diagnosis and Treatment.

Key recent publications by this scientist include:

  • TransformerCPI: improving compound-protein interaction prediction by sequence-based deep learning with self-attention mechanism and label reversal experiments, 2020, Bioinformatics
  • Sequence-based drug design as a concept in computational drug design, 2023, Nature Communications
  • NAT10/ac4C/FOXP1 Promotes Malignant Progression and Facilitates Immunosuppression by Reprogramming Glycolytic Metabolism in Cervical Cancer, 2023, Advanced Science
  • Machine-Learning-Guided Cocrystal Prediction Based on Large Data Base, 2020, Crystal Growth & Design
  • Discovery of thalidomide-based PROTAC small molecules as the highly efficient SHP2 degraders, 2021, European Journal of Medicinal Chemistry

Frequent venue selections for publishing their research reflect the scope and focus of their scientific contributions, with multiple publications appearing in:

  • Journal of Medicinal Chemistry
  • bioRxiv (Cold Spring Harbor Laboratory)
  • PubMed
  • SSRN Electronic Journal
  • The Cambridge Structural Database

Luo has collaborated extensively with several coauthors, with numerous joint publications including those with Mingyue Zheng, Dingyan Wang, Kaixian Chen, Hualiang Jiang, and Xutong Li.

Best Publications

  • Predicting protein-protein interactions based only on sequences information.

    Juwen Shen;Jian Zhang;Xiaomin Luo;Weiliang Zhu

  • Pushing the Boundaries of Molecular Representation for Drug Discovery with the Graph Attention Mechanism.

    Zhaoping Xiong;Zhaoping Xiong;Dingyan Wang;Xiaohong Liu;Xiaohong Liu;Feisheng Zhong

  • TransformerCPI: improving compound-protein interaction prediction by sequence-based deep learning with self-attention mechanism and label reversal experiments.

    Lifan Chen;Xiaoqin Tan;Dingyan Wang;Feisheng Zhong

  • In silico ADME/T modelling for rational drug design

    Yulan Wang;Jing Xing;Yuan Xu;Nannan Zhou

  • PDTD: a web-accessible protein database for drug target identification

    Zhenting Gao;Zhenting Gao;Honglin Li;Honglin Li;Hailei Zhang;Xiaofeng Liu

  • Conformational transition of amyloid β-peptide

    Yechun Xu;Jianhua Shen;Xiaomin Luo;Weiliang Zhu

  • Artificial intelligence in drug design.

    Feisheng Zhong;Jing Xing;Xutong Li;Xiaohong Liu;Xiaohong Liu

  • Cinanserin Is an Inhibitor of the 3C-Like Proteinase of Severe Acute Respiratory Syndrome Coronavirus and Strongly Reduces Virus Replication In Vitro

    Lili Chen;Chunshan Gui;Xiaomin Luo;Qingang Yang

  • Virtual Screening on Natural Products for Discovering Active Compounds and Target Information

    Jianhua Shen;Xiaoying Xu;Feng Cheng;Hong Liu

  • BZS1, a B-box Protein, Promotes Photomorphogenesis Downstream of Both Brassinosteroid and Light Signaling Pathways

    Xi-Ying Fan;Yu Sun;Dong-Mei Cao;Ming-Yi Bai

  • Nucleocapsid Protein of SARS Coronavirus Tightly Binds to Human Cyclophilin A

    Cheng Luo;Haibin Luo;Suxin Zheng;Chunshan Gui

  • Progress in clinical, pharmacological, chemical and structural biological studies of huperzine A: a drug of traditional chinese medicine origin for the treatment of Alzheimer's disease.

    Hualiang Jiang;Xiaomin Luo;Donglu Bai

  • 3D-QSAR model of flavonoids binding at benzodiazepine site in GABAA receptors.

    XQ Huang;T. Liu;JD Gu;XM Luo

  • Site of metabolism prediction for six biotransformations mediated by cytochromes P450

    Mingyue Zheng;Xiaomin Luo;Qiancheng Shen;Yong Wang

  • Steered molecular dynamics simulation on the binding of NNRTI to HIV-1 RT.

    Lingling Shen;Jianhua Shen;Xiaomin Luo;Feng Cheng

  • Pharmacophore-based virtual screening versus docking-based virtual screening: a benchmark comparison against eight targets

    Zhi Chen;Hong-lin Li;Qi-jun Zhang;Xiao-guang Bao

  • How does huperzine A enter and leave the binding gorge of acetylcholinesterase? Steered molecular dynamics simulations.

    Yechun Xu;Jianhua Shen;Xiaomin Luo;Israel Silman

  • The Multiplicity, Strength, and Nature of the Interaction of Nucleobases with Alkaline and Alkaline Earth Metal Cations: A Density Functional Theory Investigation

    Weiliang Zhu;Xiaomin Luo;Chum Mok Puah;Xiaojian Tan

  • Sequence-based drug design as a concept in computational drug design

    Unknown

  • Molecular docking and 3-D-QSAR studies on the possible antimalarial mechanism of artemisinin analogues.

    Feng Cheng;Jianhua Shen;Xiaomin Luo;Weiliang Zhu

  • Molecular Dynamics Simulations on SDF-1α: Binding with CXCR4 Receptor

    Xiaoqin Huang;Jianhua Shen;Meng Cui;Lingling Shen

  • A New Rapid and Effective Chemistry Space Filter in Recognizing a Druglike Database

    Suxin Zheng;Xiaomin Luo;Gang Chen;Weiliang Zhu

  • Differentiation of Cation-π Bonding from Cation-π Intermolecular Interactions: A Quantum Chemistry Study Using Density-Functional Theory and Morokuma Decomposition Methods

    Weiliang Zhu;Xiaojian Tan;Jianhua Shen;Xiaomin Luo

  • Focused combinatorial library design based on structural diversity, druglikeness and binding affinity score.

    Gang Chen;Suxin Zheng;Xiaomin Luo;Jianhua Shen

  • Inhibitory mode of 1,5-diarylpyrazole derivatives against cyclooxygenase-2 and cyclooxygenase-1: molecular docking and 3D QSAR analyses.

    Hong Liu;Xiaoqin Huang;Jianhua Shen;Xiaomin Luo

  • Dynamic Mechanism of E2020 Binding to Acetylcholinesterase: A Steered Molecular Dynamics Simulation

    Chunying Niu;Yechun Xu;Yong Xu;Xiaomin Luo

  • Structure-based discovery of potassium channel blockers from natural products: virtual screening and electrophysiological assay testing.

    Hong Liu;Yang Li;Mingke Song;Xiaojian Tan

Frequent Co-Authors

Hualiang Jiang
Hualiang Jiang Chinese Academy of Sciences
Kaixian Chen
Kaixian Chen Chinese Academy of Sciences
Mingyue Zheng
Mingyue Zheng Chinese Academy of Sciences
Weiliang Zhu
Weiliang Zhu Chinese Academy of Sciences
Hong Liu
Hong Liu Shandong University
Xu Shen
Xu Shen Nanjing University of Chinese Medicine
Cheng Luo
Cheng Luo Chinese Academy of Sciences
Yulan Wang
Yulan Wang Nanyang Technological University
Deju Ye
Deju Ye Nanjing University
Yixue Li
Yixue Li Chinese Academy of Sciences

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