DockQ: A Quality Measure for Protein-Protein Docking Models

DockQ: A Quality Measure for Protein-Protein Docking Models

The state-of-the-art to assess the structural quality of docking models is currently based on three related yet independent quality measures: Fnat, LRMS, and iRMS as proposed and standardized by CAPRI. These quality measures quantify different aspects of the quality of a particular docking model and...

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Veröffentlicht in:PloS one 2016-08, Vol.11 (8), p.e0161879-e0161879
Hauptverfasser: Basu, Sankar, Wallner, Björn
Format: Artikel
Sprache:eng
Schlagworte:
Algorithms
Analysis
Bioinformatics
Biology
Biology and Life Sciences
Classification
Computational Biology - methods
Correlation analysis
Docking
Glycoproteins
Internet
Learning algorithms
Ligands
Machine learning
Mathematical models
Molecular Docking Simulation
Protein Binding
Protein Interaction Mapping - methods
Protein structure
Protein structure prediction
Protein-protein interactions
Proteins
Proteins - chemistry
Proteins - metabolism
Quality
Quality assessment
Reproducibility of Results
Research and Analysis Methods
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Beschreibung
Zusammenfassung:The state-of-the-art to assess the structural quality of docking models is currently based on three related yet independent quality measures: Fnat, LRMS, and iRMS as proposed and standardized by CAPRI. These quality measures quantify different aspects of the quality of a particular docking model and need to be viewed together to reveal the true quality, e.g. a model with relatively poor LRMS (>10Å) might still qualify as 'acceptable' with a descent Fnat (>0.50) and iRMS (
ISSN:1932-6203
1932-6203
DOI:10.1371/journal.pone.0161879