An mRNA-display derived cyclic peptide scaffold reveals the substrate binding interactions of an N-terminal cysteine oxidase

MD simulation files for cobalt and iron incorporated ADO in complex with CP6-L8d-Gly-Ser/Cys. The input and final output files of each run are provided.

本数据集包含钴与铁掺入ADO后与CP6-L8d-Gly-Ser/Cys形成复合物的分子动力学（Molecular Dynamics, MD）模拟相关文件，同时提供了各次运行的输入文件与最终输出文件。