Adsorption Behavior of Random Heteropolymers from Molecular Simulations

A dataset from figshare provides statistical summaries of adsorption behavior for random heteropolymers. It contains the mean and standard deviation for the percent of simulation time spent adsorbed and the percent of polymer atoms that interact, averaged over 10 conformations per sequence. The 5.5 KB Excel file was authored by Shayna L. Hilburg and last updated on May 28, 2026.

Use Cases

• Training models to predict polymer adsorption based on sequence statistics.
• Benchmarking molecular dynamics simulation results against published adsorption metrics.
• Analyzing the relationship between polymer conformation and surface interaction time.

Strengths

• Data is derived from multiple (10) conformations per polymer sequence, providing statistical robustness.
• Key adsorption metrics (percent time adsorbed, percent atoms interacting) are provided with standard deviations.
• The dataset is openly available under a CC-BY-4.0 license.

Limitations

• Row count is unknown, which may limit suitability assessment.
• Column-level documentation is absent; field semantics must be inferred after download.
• The dataset's 5.5 KB size indicates a very limited scope of data.

Provenance

Source

figshare, authored by Shayna L. Hilburg.

Collection Method

Likely generated from molecular dynamics or Monte Carlo simulations of random heteropolymers.

Freshness

Last updated 2026-05-28 17:38:45; freshness should be verified.