The raw data of drug and Molecular dynamics for Transcriptomic and experimental validation reveal potential crosstalk between Allergic Rhinitis and Obstructive Sleep Apnea

This dataset contains the raw data, analysis scripts, and structural files for molecular dynamics (MD) simulations performed in the study titled Identification of biomarkers in allergic rhinitis and obstructive sleep apnea through transcriptome sequencing combined with experimental validation.MD simulations were conducted using GROMACS software (v 2024.4) with the AMBER99SB-ILDN force field and TIP3P water model. Two independent 20 ns replicates were performed for EFR3A‑cicloheximide and TCF12‑cicloheximide complexes at 300 K, with NVT/NPT equilibration and a 2 fs time step.
The dataset includes:
Initial and final structures in PDB format
Topology, parameter, and full trajectory files for both replicates
RMSD, RMSF, hydrogen bond, and key atomic distance analysis results
Processing and plotting scripts/code for MD analyses
All files support the reproducibility of the molecular dynamics results presented in the manuscript.