Chemical shift prediction for protein structure calculation and quality assessment using an optimally parameterized force field

Progress in Nuclear Magnetic Resonance Spectroscopy

Volumn 60, Issue , 2012, Pages 1-28

  Nielsen, Jakob T ^a   Eghbalnia, Hamid R ^b   Nielsen, Niels Chr ^a  

^a AARHUS UNIVERSITY   (Denmark)

^b UNIVERSITY OF CINCINNATI   (United States)

Author keywords

Automatic methods; Chemical shift; NMR spectroscopy; Protein structure; Software

Indexed keywords

ANALYTICAL FORMULATION; AUTOMATIC METHOD; CHEMICAL SHIFT PERTURBATIONS; FORCE FIELDS; FUNCTIONAL FORMS; INFORMATION CRITERION; MOLECULAR SIZE; NMR CHEMICAL SHIFTS; NOVEL FOLDS; PARAMETERIZED; PROTEIN STRUCTURE; PROTEIN STRUCTURE CALCULATION; PROTEIN STRUCTURES; QUALITY ASSESSMENT; ROBUST FORMULATIONS; SOPHISTICATED MACHINES; STATE-OF-THE-ART METHODS; STRUCTURAL INFORMATION;

CHEMICAL SHIFT; COMPUTER SOFTWARE; FORECASTING; INFORMATION THEORY; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; PROTEINS;

CHEMICAL ANALYSIS;

PROTEIN;

ARTICLE; CHEMISTRY; HYDROGEN BOND; METHODOLOGY; NUCLEAR MAGNETIC RESONANCE; QUALITY CONTROL;

HYDROGEN BONDING; NUCLEAR MAGNETIC RESONANCE, BIOMOLECULAR; PROTEINS; QUALITY CONTROL;

EID: 84856505931     PISSN: 00796565     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.pnmrs.2011.05.002     Document Type: Article

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