Publications by authors named "Ruige Wang"

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In Situ Cation-Switched Organometallic Cage Reconfiguration Enables Highly Selective Li Recognition and Extraction.
Rui-Ge Wang, Li-Ying Sun, Le Zhang, Chen Zou, Xiao-Xu Liu

Angew Chem Int Ed Engl· October 2025

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Molecular docking and molecular dynamics simulations revealed interaction mechanism of acetylcholinesterase with organophosphorus pesticides and their alternatives.
Jiawen Yang, Lin Chen, Shuo Wang, Bing Zhao, Ruige Wang

Arch Toxicol· June 2025

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Molecular recognition between volatile molecules and odorant binding proteins 7 by homology modeling, molecular docking and molecular dynamics simulation.
Ruige Wang, Lixin Duan, Bing Zhao, Yongjie Zheng, Lin Chen

J Sci Food Agric· September 2024

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Insight into the molecular recognition of human and polar bear pregnane X receptor by three organic pollutants using molecular docking and molecular dynamics simulations.
Ruige Wang, Yaqi Lin, Ying Sun, Bing Zhao, Lin Chen

Environ Int· August 2024

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Insight into the Binding Interaction between PEDCs and hERRγ Utilizing Molecular Docking and Molecular Dynamics Simulations.
Fanqiang Bu, Lin Chen, Ying Sun, Bing Zhao, Ruige Wang

Molecules· July 2024

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2D MoB MBene: An Efficient Co-Catalyst for Photocatalytic Hydrogen Production under Visible Light.
Sen Jin, Zuhao Shi, Ruige Wang, Yitong Guo, Libo Wang

ACS Nano· May 2024

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Molecular docking and molecular dynamics simulation decoding molecular mechanism of EDCs binding to hERRγ.
Ying Sun, Lin Chen, Bing Zhao, Ruige Wang

J Mol Model· April 2024

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Molecular basis of RNA recognition by TBP of HIV-1 from multiple molecular dynamics simulations and energy predictions.
Chao Wang, Lin Chen, Wanxia Tang, Bing Zhao, Ruige Wang

J Comput Chem· May 2023

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Structural and energetic basis of interaction between human estrogen-related receptor γ and environmental endocrine disruptors from multiple molecular dynamics simulations and free energy predictions.
Lin Chen, Xu Huang, Yufei Li, Bing Zhao, Min Liang, Ruige Wang

J Hazard Mater· February 2023

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Molecular basis of ssDNA recognition by RBM45 protein of neurodegenerative disease from multiple molecular dynamics simulations and energy predictions.
Ruige Wang, Han Sun, Wei Chen, Bing Zhao, Lin Chen

J Mol Graph Model· January 2023

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Multiple Molecular Dynamics Simulations and Energy Analysis Unravel the Dynamic Properties and Binding Mechanism of Mutants HIV-1 Protease with DRV and CA-p2.
Ruige Wang, Qingchuan Zheng

Microbiol Spectr· April 2022

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Multiple Molecular Dynamics Simulations and Free-Energy Predictions Uncover the Susceptibility of Variants of HIV-1 Protease against Inhibitors Darunavir and KNI-1657.
Ruige Wang, Qingchuan Zheng

Langmuir· December 2021

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Electrochemical Enabled Cascade Phosphorylation of N-H/O-H/S-H Bonds with P-H Compounds: An Efficient Access to P(O)-X Bonds.
Ruige Wang, Xiaojuan Dong, Yonghong Zhang, Bin Wang, Yu Xia

Chemistry· October 2021

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Multiple Molecular Dynamics Simulations of the Inhibitor GRL-02031 Complex with Wild Type and Mutant HIV-1 Protease Reveal the Binding and Drug-Resistance Mechanism.
Ruige Wang, Qingchuan Zheng

Langmuir· November 2020

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Electrochemical Oxidative Dehydrogenative Phosphorylation of -Heterocycles with P(O)-H Compounds in Imidazolium-Based Ionic Liquid.
Xiaojuan Dong, Ruige Wang, Weiwei Jin, Chenjiang Liu

Org Lett· April 2020

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CCL18 promotes the invasion and metastasis of breast cancer through Annexin A2.
Chunling Zhao, Shuxian Zheng, Ziqian Yan, Zikun Deng, Ruige Wang

Oncol Rep· February 2020

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Revealing the binding and drug resistance mechanism of amprenavir, indinavir, ritonavir, and nelfinavir complexed with HIV-1 protease due to double mutations G48T/L89M by molecular dynamics simulations and free energy analyses.
Rui-Ge Wang, Hong-Xing Zhang, Qing-Chuan Zheng

Phys Chem Chem Phys· February 2020

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Thermal stability and unfolding pathways of hyperthermophilic and mesophilic periplasmic binding proteins studied by molecular dynamics simulation.
Lin Chen, Xue Li, Ruige Wang, Fengqin Fang, Wanli Yang

J Biomol Struct Dyn· July 2016

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Influence of the R823W mutation on the interaction of the ANKS6-ANKS3: insights from molecular dynamics simulation and free energy analysis.
Wei Kan, Fengqin Fang, Lin Chen, Ruige Wang, Qigang Deng

J Biomol Struct Dyn· May 2016

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