RojhanGenomics/tp53-prima1-md-simulation: v2.0.0 - Post-review revision: topology fix, additional analyses (IE, decomposition, DSSP, Zn), negative control, 4th replicate, cross-engine docking validation
[Post-submission revision] - 2026-09 Following a desk rejection from JBSD (concerns: depth of analysis, novelty, rationale clarity), the following additional analyses and fixes were made. Fixed Protein topology (Leu289 truncation): topology/topol_Protein_chain_A.itp was found to be missing 11 atoms (CD1/CD2 side chain...