| Using deep learning and molecular dynamics simulations to unravel the regulation mechanism of peptides as noncompetitive inhibitor of xanthine oxidase Y He, K Liu, F Cao, R Song, J Liu, Y Zhang, W Li, W Han Scientific Reports 14 (1), 174, 2024 | 11 | 2024 |
| Gaussian accelerated molecular dynamics simulations investigation on the mechanism of angiotensin-converting enzyme (ACE) C-domain inhibition by dipeptides C Li, K Liu, S Chen, L Han, W Han Foods 11 (3), 327, 2022 | 9 | 2022 |
| Clustering Analysis, Structure Fingerprint Analysis, and Quantum Chemical Calculations of Compounds from Essential Oils of Sunflower (Helianthus annuus L … Y He, K Liu, L Han, W Han International Journal of Molecular Sciences 23 (17), 10169, 2022 | 7 | 2022 |
| Exploring Bitter and Sweet: The Application of Large Language Models in Molecular Taste Prediction R Song, K Liu, Q He, F He, W Han Journal of Chemical Information and Modeling 64 (10), 4102-4111, 2024 | 6 | 2024 |
| Exploring the anti-gout potential of sunflower receptacles alkaloids: A computational and pharmacological analysis K Wang, H Cui, K Liu, Q He, X Fu, W Li, W Han Computers in Biology and Medicine 172, 108252, 2024 | 5 | 2024 |
| Functionalized Fullerene Potentially Inhibits SARS-CoV-2 Infection by Modulating Spike Protein Conformational Changes K Liu, F Guo, Y Ma, X Yu, X Fu, W Li, W Han International Journal of Molecular Sciences 24 (19), 14471, 2023 | 5 | 2023 |
| Probing the Mechanisms of Inhibitors Binding to Presenilin Homologue Using Molecular Dynamics Simulations M Wang, K Liu, Y Ma, W Han Molecules 28 (5), 2076, 2023 | 5 | 2023 |
| Mulberry Leaf Compounds and Gut Microbiota in Alzheimer’s Disease and Diabetes: A Study Using Network Pharmacology, Molecular Dynamics Simulation, and Cellular Assays X Bai, X Zhao, K Liu, X Yang, Q He, Y Gao, W Li, W Han International Journal of Molecular Sciences 25 (7), 4062, 2024 | 4 | 2024 |
| Building a kokumi database and machine learning-based prediction: a systematic computational study on kokumi analysis Y He, K Liu, X Yu, H Yang, W Han Journal of Chemical Information and Modeling 64 (7), 2670-2680, 2024 | 4 | 2024 |
| Prediction of bitterness based on modular designed graph neural network Y He, K Liu, Y Liu, W Han Bioinformatics Advances 4 (1), vbae041, 2024 | 3 | 2024 |
| Exploration of the product specificity of chitosanase CsnMY002 and mutants using molecular dynamics simulations J Lu, C Wang, Y Ma, K Liu, X Fu, S Xing Molecules 28 (3), 1048, 2023 | 3 | 2023 |
| Molecular insights into chronic atrophic gastritis treatment: Coptis chinensis Franch studied via network pharmacology, molecular dynamics simulation and experimental analysis C Hu, F Cao, Y Jiang, K Liu, T Li, Y Gao, W Li, W Han Computers in Biology and Medicine 178, 108804, 2024 | 2 | 2024 |
| Unveiling Anti-Diabetic Potential of Baicalin and Baicalein from Baikal Skullcap: LC–MS, In Silico, and In Vitro Studies W Zhao, H Cui, K Liu, X Yang, S Xing, W Li International Journal of Molecular Sciences 25 (7), 3654, 2024 | 2 | 2024 |
| Integrating Computational and Experimental Methods to Identify Novel Sweet Peptides from Egg and Soy Proteins J Su, K Liu, H Cui, T Shen, X Fu, W Han International Journal of Molecular Sciences 25 (10), 5430, 2024 | 1 | 2024 |
| Database, prediction, and antibacterial research of astringency based on large language models Y He, Y Gao, K Liu, W Han Computers in Biology and Medicine 184, 109375, 2025 | | 2025 |
| GPT4Kinase: High-accuracy prediction of inhibitor-kinase binding affinity utilizing large language model K Liu, X Yu, H Cui, W Li, W Han International Journal of Biological Macromolecules 282, 137069, 2024 | | 2024 |
| Machine-Learning-Aided Engineering Hemoglobin as Carbene Transferase for Catalyzing Enantioselective Olefin Cyclopropanation H Xie, K Liu, Z Li, Z Wang, C Wang, F Li, W Han, L Wang JACS Au, 2024 | | 2024 |
| Ultra‐Photostable Bacterial‐Seeking Near‐Infrared CPDs for Simultaneous NIR‐II Bioimaging and Antibacterial Therapy J Duan, B Li, Y Liu, T Han, F Ye, H Xia, K Liu, J He, X Wang, Q Cai, ... Advanced Healthcare Materials 13 (29), 2401131, 2024 | | 2024 |
| Molecular dynamics simulations to explore the binding mode between the amyloid-β protein precursor (APP) and adaptor protein Mint2 M Wang, K Liu Scientific Reports 14 (1), 7975, 2024 | | 2024 |
| Design of Vif-Derived Peptide Inhibitors with Anti-HIV-1 Activity by Interrupting Vif-CBFβ Interaction Y Gai, S Duan, S Wang, K Liu, X Yu, C Yang, G Li, Y Zhou, B Yu, J Wu, ... Viruses 16 (4), 490, 2024 | | 2024 |
Renxiu SongJilin University在 mails.jlu.edu.cn 的电子邮件经过验证
Renxiu SongJilin University在 mails.jlu.edu.cn 的电子邮件经过验证