Integrated Molecular Dynamics of TP53 H179 Variants in NSCLC Subtypes

A 2026 study by Ankur Datta analyzes TP53 mutations in 1,160 individuals from TCGA, comprising 616 lung adenocarcinoma and 544 lung squamous cell carcinoma cases. The research focuses on structural and functional ramifications of specific mutations at the His179 zinc-binding site using molecular dynamics simulations. The document, licensed CC-BY-4.0, is a 1.1 MB DOCX file.

Use Cases

• Study mutation prevalence in NSCLC subtypes based on TCGA cohort analysis of 616 LUAD and 544 LUSC individuals.
• Analyze structural perturbations in p53 protein based on molecular dynamics simulation results for H179 variants.
• Investigate zinc-binding affinity alterations based on computational evaluation of mutant protein stability.
• Examine conformational signatures and energy landscape changes based on contact maps and trajectory analysis.

Strengths

• Analysis includes a substantial cohort of 1,160 individuals from TCGA.
• Focuses on a specific, underexplored structural site (His179) within the p53 zinc-binding motif.
• Employs a multi-method approach combining mutational profiling, static structural analysis, and molecular dynamics simulations.

Limitations

• Row count is unknown, which may limit suitability assessment.
• Column-level documentation is absent; field semantics must be inferred after download.
• The dataset is a 1.1 MB DOCX file, suggesting it is a research document rather than a structured data table.

Provenance

Source

Ankur Datta via figshare.

Collection Method

TCGA mutational profiles were evaluated, and structural ramifications were studied using combinatorial static analysis and atomistic molecular dynamics simulations.

Time Range

The study was last updated in 2026; specific temporal coverage of the underlying TCGA data is not stated.

Freshness

Last updated 2026-04-10 05:59:21; freshness should be verified.

Geography

Spatial coverage is not specified.