Molecular dynamics investigation of the interaction between Colletotrichum capsici cutinase and berberine suggested a mechanism for reduced enzyme activity

• Ying Li,

  Roles Writing – original draft

  Affiliation Beijing Key Laboratory of Biomass Waste Resource Utilization, College of Biochemical Engineering, Beijing Union University, Beijing, China

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• Jinqing Wei,

  Roles Project administration

  Affiliation Beijing Key Laboratory of Biomass Waste Resource Utilization, College of Biochemical Engineering, Beijing Union University, Beijing, China

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• Huizhen Yang,

  Roles Visualization

  Affiliation Beijing Key Laboratory of Biomass Waste Resource Utilization, College of Biochemical Engineering, Beijing Union University, Beijing, China

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• Jing Dai,

  Roles Software

  Affiliation Beijing Aerospace Petrochemical EC&EP Technology Co., Ltd, Beijing, China

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• Xizhen Ge

  Roles Formal analysis, Funding acquisition

  * E-mail: shtxizhen@buu.edu.cn

  Affiliation Beijing Key Laboratory of Biomass Waste Resource Utilization, College of Biochemical Engineering, Beijing Union University, Beijing, China

  https://orcid.org/0000-0001-6495-0361

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