Computational files supporting structure-guided analysis of the MFN2 C-terminal modulator surface
Abstract
This dataset supports the structure-guided analysis of the MFN2 C-terminal modulator surface in the review "Conformational allocation of mitofusin 2 in neuronal mitochondrial dynamics: mechanisms and therapeutic targeting". It contains receptor and ligand coordinates, docking configurations, raw poses and logs, solvent-accessibility and pocket-detection results, analysis tables, scripts, software records and checksums.Version 1.1.0 adds the complete methods and two computation tables relocated from the manuscript, the current integrated Figure 6 and its caption, source-data and coordinate crosswalks, a field dictionary and file inventories. Four historical rendering inputs omitted from version 1.0.0 are also supplied with their original filenames and restoration paths. The 784 files from version 1.0.0 are preserved byte for byte. No calculations or numerical results have changed.The complete ZIP is self-contained. The separate methods document and two CSV tables are identical convenience copies of files inside it. The former Figures 6 and 7 are represented by the integrated main Figure 6. Historical labels remain unchanged within the original archive.Docking tests local geometric compatibility and coordinate-derived exposure. It does not establish native-membrane accessibility, binding affinity, selectivity or therapeutic response. Fixed search seeds are technical searches, not biological replicates.
