Detailed Regulatory Mechanism of the Interaction between ZO-1 PDZ2 and Connexin43 Revealed by MD Simulations

Open Access

Peer-reviewed

Research Article

Fei Xiao,

Affiliation Shanghai Key Laboratory of Molecular Catalysis and Innovative Materials, Department of Chemistry, Fudan University, Shanghai, People's Republic of China
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Jingwei Weng,

Affiliation Institute of Biomedical Sciences, Fudan University, Shanghai, People's Republic of China
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Kangnian Fan,

Affiliation Shanghai Key Laboratory of Molecular Catalysis and Innovative Materials, Department of Chemistry, Fudan University, Shanghai, People's Republic of China
⨯
Wenning Wang

* E-mail: wnwang@fudan.edu.cn

Affiliations Shanghai Key Laboratory of Molecular Catalysis and Innovative Materials, Department of Chemistry, Fudan University, Shanghai, People's Republic of China, Institute of Biomedical Sciences, Fudan University, Shanghai, People's Republic of China
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Crystal structure
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Phosphorylation
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Hydrogen bonding
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Free energy
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Biochemical simulations
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Clustering algorithms
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Protein domains
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Protein interactions
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