Combining NMR ensembles and molecular dynamics simulations provides more realistic models of protein structures in solution and leads to better chemical shift prediction

Journal of Biomolecular NMR

Volumn 52, Issue 3, 2012, Pages 257-267

  Lehtivarjo, Juuso ^a   Tuppurainen, Kari ^a   Hassinen, Tommi ^a   Laatikainen, Reino ^a   Peräkylä, Mikael ^a  

^a UNIVERSITY OF EASTERN FINLAND   (Finland)

Author keywords

Chemical shift; Molecular dynamics; NMR ensembles; Prediction; Protein

Indexed keywords

ARTICLE; CONFORMATIONAL TRANSITION; HYDROGEN BOND; MOLECULAR DYNAMICS; NUCLEAR MAGNETIC RESONANCE; PREDICTION; PRIORITY JOURNAL; PROTEIN ANALYSIS; PROTEIN STRUCTURE; STRUCTURE ANALYSIS;

MOLECULAR DYNAMICS SIMULATION; NUCLEAR MAGNETIC RESONANCE, BIOMOLECULAR; PROTEINS;

EID: 84859567766     PISSN: 09252738     EISSN: 15735001     Source Type: Journal    
DOI: 10.1007/s10858-012-9609-6     Document Type: Article

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