Periplaneta americana Peptides DFIR ECG IGF PGPIN: Molecular Dynamics Analysis with ACE

262.3 MB of molecular dynamics simulation files for four peptides from Periplaneta americana (DFIR, ECG, IGF, PGPIN) interacting with the angiotensin-converting enzyme (ACE). The dataset was authored by Fengjiao Yang and last updated on May 6, 2026. It contains simulation outputs in formats such as PDB, GRO, TOP, TRR, and XVG.

Use Cases

• Analyze binding stability and dynamics based on molecular dynamics trajectories mentioned in the description
• Compare interaction patterns of different peptides (DFIR, ECG, IGF, PGPIN) with the ACE protein
• Validate computational models of protein-ligand interactions using the provided simulation data

Strengths

• 262.3 MB of simulation data provides substantial detail for analysis
• Includes multiple standard molecular dynamics file formats (PDB, GRO, TOP, TRR, XVG) for compatibility with common tools

Limitations

• Description metadata is limited; actual data quality requires manual inspection after download
• Column-level documentation is absent; field semantics must be inferred after download

Provenance

Source

Fengjiao Yang

Freshness

Last updated 2026-05-06 12:19:43; freshness should be verified