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Free-energy landscape, principal component analysis, and structural clustering to identify representative conformations from molecular dynamics simulations: The myoglobin case

EngineeringProtein FoldingMolecular BiologyConformational StudyRepresentative ConformationsProtein Structure PredictionProtein ModelingComputational ChemistryPrincipal Component AnalysisMedicineMolecular DynamicsBiophysicsStructural ClusteringComputational Biophysics