Molecular Dynamics Simulation Files for Potassium Channel Gating Crosstalk

Source data files for the manuscript "Gating Crosstalk in Potassium Channels". The 3.7 GB ZIP archive contains structures and parameters for molecular dynamics simulations, including input TPR files, initial and final structures, and MDP parameter files for each parallel simulation. The dataset was authored by GU and last updated on May 26, 2026.

Use Cases

• Validate molecular dynamics simulation protocols based on the provided TPR and MDP parameter files.
• Analyze protein conformational changes based on the initial and final structures from parallel simulations.
• Reproduce results from the associated manuscript on gating crosstalk in potassium channels.
• Benchmark simulation software using the provided structures and parameters.

Strengths

• Files are directly linked to a peer-reviewed manuscript, providing research context.
• The dataset includes both input parameters (MDP files) and output structures for each simulation run.
• The dataset is 3.7 GB in size, indicating substantial simulation data.

Limitations

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

Provenance

Source

figshare

Collection Method

Generated as part of the research for the manuscript "Gating Crosstalk in Potassium Channels".

Freshness

Last updated 2026-05-26 04:53:56; freshness should be verified.