Nanopore Discrimination of Protein-Small-Molecule Drug Complexes

A 696.2 KB dataset by Junhyeok Jo demonstrates a YaxAB nanopore sensing approach for discriminating protein-drug complexes. The method, described in a study uploaded to figshare in April 2026, achieves near-atomic resolution by detecting subtle mass differences as small as 2.5 Daltons. Electrical recordings and molecular dynamics simulations confirm the single-molecule detection of BRD4 protein interactions with histone peptides and small-molecule drugs.

Use Cases

• Training models for single-molecule drug screening based on nanopore current transition parameters.
• Analyzing protein-ligand binding dynamics using the described dual-level current transition data.
• Benchmarking computational methods for molecular dynamics simulations of nanopore systems.
• Developing diagnostic assays based on the high-resolution discrimination of biomolecular complexes.

Strengths

• Dataset is associated with a method demonstrating high-resolution detection of mass differences as small as 2.5 Daltons.
• Data is derived from both experimental electrical recordings and molecular dynamics simulations, providing a multi-faceted view.
• The dataset is openly shared under a CC-BY-NC-4.0 license, facilitating academic reuse.

Limitations

• Row count and column-level documentation are unknown, which may limit suitability assessment.
• The dataset's 696.2 KB size indicates a limited scope, likely containing processed results rather than raw experimental streams.
• Description metadata is limited; actual data structure and quality require manual inspection after download.

Provenance

Source

Junhyeok Jo via figshare.

Collection Method

Likely contains processed results from YaxAB nanopore electrical recordings and associated molecular dynamics simulations, as described in the accompanying study.

Freshness

Last updated 2026-04-28 07:03:57; freshness should be verified.