RNA-Targeted Ligand Docking Performance Evaluation Across 25 RNA Targets

A dataset of 432 small-molecule RNA binders used to evaluate three molecular docking programs: Glide, GOLD, and rDock. The data likely contains docking scores and performance metrics for RNA-ligand interactions across diverse RNA classes. It was authored by Kaichen Wang and last updated on May 13, 2026.

Use Cases

• Benchmarking docking program performance based on the evaluation of three widely used programs.
• Developing consensus scoring strategies based on the analysis of average scores across programs and structures.
• Tailoring scoring functions for specific RNA binder chemotypes based on the clustering analysis mentioned.
• Improving virtual screening protocols for structured RNA targets based on the practical guidance offered.

Strengths

• Focuses on 25 diverse RNA targets, a specific and underutilized area in drug discovery.
• Evaluates a substantial set of 432 small-molecule RNA binders.
• Compares three established docking programs (Glide, GOLD, rDock) directly.

Limitations

• Column-level documentation is absent; field semantics must be inferred after download.
• Row count is unknown, which may limit suitability assessment.
• The dataset is small in scale at 174.1 KB, indicating limited scope.

Provenance

Source

figshare

Collection Method

Likely contains results from computational docking screens and analysis.

Freshness

Last updated 2026-05-13 02:03:24; freshness should be verified.