ProCS15: A DFT-based chemical shift predictor for backbone and Cβ atoms in proteins

PeerJ

Volumn 2015, Issue 10, 2015, Pages

  Larsen, Anders S ^a   Bratholm, Lars A ^a   Christensen, Anders S ^b   Channir, Maher ^a   Jensen, Jan H ^a  

^a UNIVERSITY OF COPENHAGEN   (Denmark)

^b UNIVERSITY OF WISCONSIN MADISON   (United States)

Author keywords

Chemical shifts; NMR; Protein structure; Quantum chemistry

Indexed keywords

CARBON; HYDROGEN; NITROGEN; PROTEIN G; TRIPEPTIDE; UBIQUITIN;

ARTICLE; ATOM; BACKBONE ATOM; COMPUTER PROGRAM; DENSITY FUNCTIONAL THEORY; DIELECTRIC CONSTANT; HYDROGEN BOND; LABORATORY DEVICE; LINEAR REGRESSION ANALYSIS; MODEL; PREDICTION; PROTEIN STRUCTURE; PROTON CHEMICAL SHIFT PREDICTOR 15; PROTON NUCLEAR MAGNETIC RESONANCE; SIMULATION;

EID: 84946236234     PISSN: None     EISSN: 21678359     Source Type: Journal    
DOI: 10.7717/peerj.1344     Document Type: Article

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