Protein structure validation and refinement using amide proton chemical shifts derived from quantum mechanics

PLoS ONE

Volumn 8, Issue 12, 2013, Pages

  Christensen, Anders S ^a   Linnet, Troels E ^a   Borg, Mikael ^a   Boomsma, Wouter ^a   Lindorff Larsen, Kresten ^a   Hamelryck, Thomas ^a   Jensen, Jan H ^a  

^a UNIVERSITY OF COPENHAGEN   (Denmark)

Author keywords

[No Author keywords available]

Indexed keywords

PROTEIN G; UBIQUITIN;

AMIDE PROTON CHEMICAL SHIFT; ARTICLE; CHEMICAL PARAMETERS; COMPUTER PROGRAM; CONTROLLED STUDY; GEOMETRY; HYDROGEN BOND; LIGAND BINDING; MONTE CARLO METHOD; PROTEIN DOMAIN; PROTEIN STRUCTURE; PROTON TRANSPORT; QUANTUM MECHANICS; VALIDATION STUDY; X RAY CRYSTALLOGRAPHY;

AMIDES; BACTERIAL PROTEINS; CRYSTALLOGRAPHY, X-RAY; HUMANS; HYDROGEN BONDING; MAGNETIC RESONANCE IMAGING; MODELS, MOLECULAR; MOLECULAR DYNAMICS SIMULATION; MONTE CARLO METHOD; NUCLEAR MAGNETIC RESONANCE, BIOMOLECULAR; PROTEIN CONFORMATION; PROTONS; QUANTUM THEORY; SMN COMPLEX PROTEINS; UBIQUITIN;

EID: 84896691645     PISSN: None     EISSN: 19326203     Source Type: Journal    
DOI: 10.1371/journal.pone.0084123     Document Type: Article

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