Using quaternions to calculate RMSD

Journal of Computational Chemistry

Volumn 25, Issue 15, 2004, Pages 1849-1857

  Coutsias, Evangelos A ^a   Seok, Chaok ^b   Dill, Ken A ^c  

^a UNIVERSITY OF NEW MEXICO   (United States)

^b Seoul National University   (South Korea)

^c UNIVERSITY OF CALIFORNIA   (United States)

Author keywords

Quarternions; RMSD

Indexed keywords

ORTHOGONAL TRANSFORMATIONS; QUATERNION PARAMETRIZATION; ROOT-MEAN-SQUARE DEVIATION (RMSD); SINGULAR VALUE DECOMPOSITION (SVD);

ERROR CORRECTION; MATHEMATICAL MODELS; OPTIMIZATION; PARAMETER ESTIMATION; POLYNOMIALS;

MOLECULAR DYNAMICS;

PROTEIN;

ALGORITHM; ARTICLE; CHEMISTRY; THEORETICAL MODEL; THERMODYNAMICS;

ALGORITHMS; MODELS, THEORETICAL; PROTEINS; THERMODYNAMICS;

EID: 8344246968     PISSN: 01928651     EISSN: None     Source Type: Journal    
DOI: 10.1002/jcc.20110     Document Type: Article

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