Supplementary data for: "Molecular insights of acarbose metabolization catalyzed by acarbose-preferred glucosidase"

This dataset comprises computational data (MD and QM/MM) associated with the research article titled "Molecular insights of acarbose metabolization catalyzed by acarbose-preferred glucosidase". Included are coordinate files generated from molecular dynamics simulations and QM/MM, along with all extracted data utilized in the study.本数据集包含与题为《阿卡波糖偏好型葡萄糖苷酶催化阿卡波糖代谢的分子解析》的研究论文相关的计算数据（分子动力学（Molecular Dynamics, MD）与量子力学/分子力学（Quantum Mechanics/Molecular Mechanics, QM/MM））。数据集涵盖了由分子动力学模拟及QM/MM计算生成的坐标文件，以及本研究中使用的全部提取数据。