Computational data for "Targeting the Allosteric Mechanism of Methicillin-resistant Staphylococcus aureus Pyruvate Kinase: From Inhibitor Discovery to Network Rewiring"
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资源简介：
The uploaded zip file contains computational data, including Allosigma2 output files, root-mean-square fluctuation (RMSF) values, distance analysis, mutual information matrices, and residue interaction network (RIN) analysis outputs. It also includes the scripts used to process the simulation data and generate the computational figures.
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Zenodo创建时间：
2026-06-24
