Reproducibility files and molecular dynamics trajectories for evidence-layered in silico prioritization of Salvia miltiorrhiza-associated compound-target hypotheses in chemotherapy-induced thrombocytopenia biology

This repository contains the reproducibility files, processed tables, selected structural-analysis outputs, and raw molecular dynamics trajectory archive supporting the manuscript "Evidence-Layered In Silico Prioritization of Salvia miltiorrhiza-Associated Compound-Target Hypotheses in Chemotherapy-Induced Thrombocytopenia Biology". The archive includes processed network pharmacology, overlap-control, docking, MD/MM-GBSA, ADMET/hemostasis and expression-context tables, as well as production trajectories, TPR files, coordinates, topology and parameter inputs for the luteolin-AKT1 replicate simulations, luteolin-BCL2 and cryptotanshinone-STAT3 systems. These materials support inspection and reuse of the in silico prioritization workflow. The data do not constitute experimental or clinical evidence that Salvia miltiorrhiza treats chemotherapy-induced thrombocytopenia.