博士生 Doctor
邮箱 / Mail Address：2501111564@stu.pku.edu.cn
所在单位 / Current Affiliation：北京大学前沿交叉学科研究院
专业 / major：整合生命科学
研究关键词 / Research Keywords：
Molecular Docking, Molecular Dynamics (MD) Simulations
研究概述 / Research Overview：
结合分子对接、动力学模拟及计算化学方法研究铁载体及其受体。
Integrates molecular docking, MD simulations, and computational chemistry to study siderophores with their specific receptors.
研究介绍 / Research Introduction：
My research integrates molecular docking, molecular dynamics simulations, and DFT calculations to explore the dynamic recognition between siderophores and membrane receptors, identify key residues and conformational changes governing binding specificity, and evaluate the electronic properties and chelating strength of various siderophores.