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Fast determination of the optimal rotational matrix for macromolecular superpositions
Finding the rotational matrix that minimizes the sum of squared deviations between two vectors is an important problem in bioinformatics and crystallography. Traditional algorithms involve the inversion or decomposition of a 3 × 3 or 4 × 4 matrix, which can be computationally expensive and numerical...
Autores principales: | Liu, Pu, Agrafiotis, Dimitris K, Theobald, Douglas L |
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Formato: | Texto |
Lenguaje: | English |
Publicado: |
Wiley Subscription Services, Inc., A Wiley Company
2010
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2958452/ https://www.ncbi.nlm.nih.gov/pubmed/20017124 http://dx.doi.org/10.1002/jcc.21439 |
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