Toward the quantum chemical calculation of nuclear magnetic resonance chemical shifts of proteins

Proteins: Structure, Function and Bioinformatics

Volumn 79, Issue 7, 2011, Pages 2189-2202

  Frank, Andrea ^a   Onila, Ionut ^a   Möller, Heiko M ^a   Exner, Thomas E ^a  

^a UNIVERSITY OF KONSTANZ   (Germany)

Author keywords

Evaluation; Fragment based approach; Nuclear magnetic resonance chemical shift calculation; Protein structure; Quantum mechanics

Indexed keywords

DYNEIN ADENOSINE TRIPHOSPHATASE; DYNEIN LIGHT CHAIN 2A; FUNGAL PROTEIN; PROTEIN P53; PROTEIN P63; PROTEIN TFB1; TRYPTOPHAN; UNCLASSIFIED DRUG;

ACCURACY; ARTICLE; CARBON NUCLEAR MAGNETIC RESONANCE; COMPLEX FORMATION; DENSITY FUNCTIONAL THEORY; DNA BINDING; NITROGEN NUCLEAR MAGNETIC RESONANCE; PRIORITY JOURNAL; PROTEIN CONFORMATION; PROTEIN DOMAIN; PROTEIN STRUCTURE; PROTON NUCLEAR MAGNETIC RESONANCE; QUANTUM CHEMISTRY; QUANTUM MECHANICS;

CARBON ISOTOPES; HYDROGEN; MODELS, MOLECULAR; NUCLEAR MAGNETIC RESONANCE, BIOMOLECULAR; PEPTIDES; PROTEIN CONFORMATION; PROTEINS; QUANTUM THEORY; REPRODUCIBILITY OF RESULTS; THERMODYNAMICS;

EID: 79958768387     PISSN: 08873585     EISSN: 10970134     Source Type: Journal    
DOI: 10.1002/prot.23041     Document Type: Article

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