Supplementary data for: "Efficient QM/MM Modeling of Enzymatic Reactions combining PathCV with OPES"
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资源简介：
This dataset comprises computational data associated with the research article titled "Efficient QM/MM Modeling of Enzymatic Reactions combining PathCV with OPES". Included are trajectory files generated from molecular dynamics simulations, along with all extracted data utilized in the study.
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Zenodo创建时间：
2026-05-26
