Explicit treatment of force contribution from alignment tensor using overdetermined linear equations and its application in NMR structure determination

Journal of Computational Chemistry

Volumn 28, Issue 11, 2007, Pages 1858-1864

  Rathinavelan, Thenmalarchelvi ^a   Im, Wonpil ^a  

^a UNIVERSITY OF KANSAS   (United States)

Author keywords

hairpin; Protein G; Replica exchange molecular dynamics (REX MD); Residual dipolar coupling (RDC); Root mean square deviation (RMSD); Singular value decomposition (SVD)

Indexed keywords

INTERNUCLEAR VECTOR; PROTEIN G; REPLICA EXCHANGE MOLECULAR DYNAMICS (REX-MD); RESIDUAL DIPOLAR COUPLING (RDC); ROOT MEAN SQUARE DEVIATION (RMSD);

COMPUTER SIMULATION; LINEAR EQUATIONS; MACROMOLECULES; MAGNETIC FIELD EFFECTS; MOLECULAR DYNAMICS; NUCLEAR MAGNETIC RESONANCE; SINGULAR VALUE DECOMPOSITION;

TENSORS;

ARTICLE; METHODOLOGY; NUCLEAR MAGNETIC RESONANCE; PROTEIN CONFORMATION;

NUCLEAR MAGNETIC RESONANCE, BIOMOLECULAR; PROTEIN CONFORMATION;

EID: 34547279573     PISSN: 01928651     EISSN: 1096987X     Source Type: Journal    
DOI: 10.1002/jcc.20712     Document Type: Article

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