Dataset for the article "Predicting unknown binding sites for transition-metal-based compounds in proteins"

This dataset contains additional material related to the article "Predicting unknown binding sites for transition-metal-based compounds in proteins". It includes a Jupyter Notebook for performing Metal1D and Metal3D predictions for all the systems studied, as well as the results of the predictions and visualizations.

本数据集包含与论文《预测蛋白质中过渡金属基化合物的未知结合位点》（Predicting unknown binding sites for transition-metal-based compounds in proteins）相关的补充材料。其中涵盖用于对所有研究体系执行Metal1D与Metal3D预测的Jupyter笔记本（Jupyter Notebook），以及相关预测结果与可视化内容。