Tri-nuc Project: Molecular Dynamics Simulation Trajectories

6.8 GB of molecular dynamics simulation trajectories for the Tri-nuc project, stored in PDB and XTC file formats. The dataset was authored by Shuxiang Li and last updated on May 24, 2026. It is shared under a CC-BY-4.0 license on the figshare platform.

Use Cases

• Analyzing protein conformational changes based on the described simulation trajectories.
• Validating molecular dynamics force fields using the provided trajectory data.
• Training machine learning models for protein structure prediction on simulation snapshots.

Strengths

• Dataset size is 6.8 GB, indicating a substantial volume of simulation data.
• Files are provided in the standard PDB and XTC formats for structural biology.

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.
• Row count is unknown, which may limit suitability assessment.

Provenance

Source

Shuxiang Li via figshare

Collection Method

Molecular dynamics simulation trajectories

Freshness

Last updated 2026-05-24 20:51:25; freshness should be verified.