rrQNet
rrQNet estimates the quality of predicted protein contact maps using deep learning applied directly to two-dimensional residue–residue contact matrices.
Key Features:
- Evolutionary Reconciliation Network: Utilizes cascaded deep neural network modules to encode evolutionary context and perform reconciliation between predicted contacts and evolutionary signals.
- Residue-Pair Level Scoring: Generates quality scores for individual residue pairs and aggregates them to produce overall contact map quality estimates, enabling multi-resolution assessment.
Scientific Applications:
- Protein Structure Prediction Assessment: Evaluates and ranks predicted contact maps to support validation and refinement of computational protein structure models.
Methodology:
rrQNet applies a deep neural network architecture trained on diverse contact predictors to assess consistency between predicted residue–residue contacts and evolutionary information, producing quantitative quality scores for contact maps.
Topics
Details
- License:
- GPL-3.0
- Cost:
- Free of charge
- Tool Type:
- command-line tool
- Operating Systems:
- Mac, Linux, Windows
- Programming Languages:
- Python
- Added:
- 9/17/2022
- Last Updated:
- 11/24/2024
Operations
Publications
Roche R, Bhattacharya S, Shuvo MH, Bhattacharya D. <scp>rrQNet</scp> : Protein contact map quality estimation by deep evolutionary reconciliation. Proteins: Structure, Function, and Bioinformatics. 2022;90(12):2023-2034. doi:10.1002/prot.26394. PMID:35751651. PMCID:PMC9633355.
DOI: 10.1002/prot.26394
PMID: 35751651
PMCID: PMC9633355
Funding: - National Institute of General Medical Sciences: R35GM138146
- National Science Foundation of Sri Lanka: DBI‐1942692, IIS‐2030722