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Analytical Chemistry|June 11, 2019
Fluorophore-Dependent Cleavage of Disulfide Bond Leading to a Highly Selective Fluorescent Probe of ThioredoxinHuiyi Jia, Guodong Hu, Danfeng Shi, et al.
Journal of Healthcare Engineering|October 18, 2021
Effect of Health Belief Model Education on Increasing Cognition and Self-Care Behaviour among Elderly Women with Malignant Gynaecological Tumours in Fujian, ChinaChenyin Liu, Xianjing Chen, Mengli Huang, et al.
Molecular Pharmaceutics|June 26, 2018
Xanthatin Promotes Apoptosis via Inhibiting Thioredoxin Reductase and Eliciting Oxidative StressRuijuan Liu, Danfeng Shi, Junmin Zhang, et al.
Frontiers in Chemistry|November 30, 2019
Computational Insight Into the Small Molecule Intervening PD-L1 Dimerization and the Potential Structure-Activity RelationshipDanfeng Shi, Xiaoli An, Qifeng Bai, et al.
ACS Chemical Neuroscience|October 30, 2018
How Does Agonist and Antagonist Binding Lead to Different Conformational Ensemble Equilibria of the κ-Opioid Receptor: Insight from Long-Time Gaussian Accelerated Molecular Dynamics SimulationXiaoli An, Qifeng Bai, Zhitong Bing, et al.
Proceedings of the National Academy of Sciences of the United States of America|May 13, 2024
Exploring the activation mechanism of metabotropic glutamate receptor 2Xiaohong Zhu, Mengqi Luo, Ke An, et al.
Bioorganic & Medicinal Chemistry Letters|August 18, 2025
Discovery of small-molecule modulators of ppGalNAc-T2 targeting the metastable states during its loop-closing processDanfeng Shi, Xialin Luo, Lu Wang, et al.
Toxicology and Applied Pharmacology|March 23, 2019
Virtual screening-guided discovery of thioredoxin reductase inhibitorsRuijuan Liu, Danfeng Shi, Junmin Zhang, et al.
Physical Chemistry Chemical Physics : PCCP|June 26, 2014
Ligand induced change of β2 adrenergic receptor from active to inactive conformation and its implication for the closed/open state of the water channel: insight from molecular dynamics simulation, free energy calculation and Markov state model analysisQifeng Bai, Horacio Pérez-Sánchez, Yang Zhang, et al.
Chemical Biology & Drug Design|February 17, 2018
Computational studies on horseshoe shape pocket of human orexin receptor type 2 and boat conformation of suvorexant by molecular dynamics simulationsQifeng Bai, Horacio Pérez-Sánchez, Zhuoyu Shi, et al.
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