Molecular dynamics analysis of periplaneta americana small peptide monomers (DFIR, ECG, IG

113.8 MB of molecular dynamics simulation data for small peptide monomers from the American cockroach (Periplaneta americana) and the Angiotensin-Converting Enzyme (ACE). The dataset, authored by Fengjiao Yang, includes files in CPT, TPR, GRO, LOG, and EDR formats and was last updated on May 20, 2026.

Use Cases

• Simulating peptide-protein binding dynamics based on the described molecular dynamics analysis.
• Analyzing conformational changes in small peptide monomers based on the described simulation trajectories.
• Studying the interaction between insect-derived peptides and human enzymes like ACE based on the described system.

Strengths

• Dataset size is 113.8 MB, indicating a substantial volume of simulation data.
• Includes multiple standard molecular dynamics file formats (CPT, TPR, GRO, LOG, EDR) for compatibility with common analysis tools.
• Released under a permissive CC-BY-4.0 license for open reuse.

Limitations

• Row count is unknown, which may limit suitability assessment.
• Column-level documentation is absent; field semantics must be inferred after download.
• Description metadata is limited; actual data quality requires manual inspection after download.

Provenance

Source

Fengjiao Yang via figshare

Collection Method

Likely generated via molecular dynamics simulation software.

Freshness

Last updated 2026-05-20 15:26:27; freshness should be verified.