Distinguishing native conformations of proteins from decoys with an effective free energy estimator based on the OPLS all-atom force field and the surface generalized born solvent model

Protein decoy data sets provide a benchmark for testing scoring functions designed for fold recognition and protein homology modeling problems. It is commonly believed that statistical potentials based on reduced atomic models are better able to discriminate native‐like from misfolded decoys than sc...

Ausführliche Beschreibung

Bibliographische Detailangaben

Veröffentlicht in:	Proteins, structure, function, and bioinformatics structure, function, and bioinformatics, 2002-08, Vol.48 (2), p.404-422
Hauptverfasser:	Felts, Anthony K., Gallicchio, Emilio, Wallqvist, Anders, Levy, Ronald M.
Format:	Artikel
Sprache:	eng
Schlagworte:	Animals Databases, Protein fold recognition Models, Molecular Models, Theoretical Molecular Structure Protein Conformation protein decoys Protein Folding protein solvation Proteins - chemistry Sequence Analysis, Protein - methods Solvents - chemistry Static Electricity
Online-Zugang:	Volltext
Tags:	Tag hinzufügen Keine Tags, Fügen Sie den ersten Tag hinzu!