Literature DB >> 17130458

Empirical Bayes hierarchical models for regularizing maximum likelihood estimation in the matrix Gaussian Procrustes problem.

Douglas L Theobald1, Deborah S Wuttke.   

Abstract

Procrustes analysis involves finding the optimal superposition of two or more "forms" via rotations, translations, and scalings. Procrustes problems arise in a wide range of scientific disciplines, especially when the geometrical shapes of objects are compared, contrasted, and analyzed. Classically, the optimal transformations are found by minimizing the sum of the squared distances between corresponding points in the forms. Despite its widespread use, the ordinary unweighted least-squares (LS) criterion can give erroneous solutions when the errors have heterogeneous variances (heteroscedasticity) or the errors are correlated, both common occurrences with real data. In contrast, maximum likelihood (ML) estimation can provide accurate and consistent statistical estimates in the presence of both heteroscedasticity and correlation. Here we provide a complete solution to the nonisotropic ML Procrustes problem assuming a matrix Gaussian distribution with factored covariances. Our analysis generalizes, simplifies, and extends results from previous discussions of the ML Procrustes problem. An iterative algorithm is presented for the simultaneous, numerical determination of the ML solutions.

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Year:  2006        PMID: 17130458      PMCID: PMC1664551          DOI: 10.1073/pnas.0508445103

Source DB:  PubMed          Journal:  Proc Natl Acad Sci U S A        ISSN: 0027-8424            Impact factor:   11.205


  1 in total

1.  THESEUS: maximum likelihood superpositioning and analysis of macromolecular structures.

Authors:  Douglas L Theobald; Deborah S Wuttke
Journal:  Bioinformatics       Date:  2006-06-15       Impact factor: 6.937

  1 in total
  25 in total

1.  THESEUS: maximum likelihood superpositioning and analysis of macromolecular structures.

Authors:  Douglas L Theobald; Deborah S Wuttke
Journal:  Bioinformatics       Date:  2006-06-15       Impact factor: 6.937

2.  Crystal structure of coxsackievirus B3 3Dpol highlights the functional importance of residue 5 in picornavirus polymerases.

Authors:  Grace Campagnola; Mark Weygandt; Kirsten Scoggin; Olve Peersen
Journal:  J Virol       Date:  2008-07-16       Impact factor: 5.103

3.  Optimal superpositioning of flexible molecule ensembles.

Authors:  Vytautas Gapsys; Bert L de Groot
Journal:  Biophys J       Date:  2013-01-08       Impact factor: 4.033

4.  Bayesian analysis of matrix normal graphical models.

Authors:  Hao Wang; Mike West
Journal:  Biometrika       Date:  2009-10-09       Impact factor: 2.445

5.  Event detection and sub-state discovery from biomolecular simulations using higher-order statistics: application to enzyme adenylate kinase.

Authors:  Arvind Ramanathan; Andrej J Savol; Pratul K Agarwal; Chakra S Chennubhotla
Journal:  Proteins       Date:  2012-08-08

6.  BAYESIAN ALIGNMENT OF SIMILARITY SHAPES.

Authors:  Kanti V Mardia; Christopher J Fallaize; Stuart Barber; Richard M Jackson; Douglas L Theobald
Journal:  Ann Appl Stat       Date:  2013       Impact factor: 2.083

7.  The expanded FindCore method for identification of a core atom set for assessment of protein structure prediction.

Authors:  David A Snyder; Jennifer Grullon; Yuanpeng J Huang; Roberto Tejero; Gaetano T Montelione
Journal:  Proteins       Date:  2014-02

8.  Automated error-tolerant macromolecular structure determination from multidimensional nuclear Overhauser enhancement spectra and chemical shift assignments: improved robustness and performance of the PASD algorithm.

Authors:  John J Kuszewski; Robin Augustine Thottungal; G Marius Clore; Charles D Schwieters
Journal:  J Biomol NMR       Date:  2008-07-31       Impact factor: 2.835

9.  Distinct conformations of a putative translocation element in poliovirus polymerase.

Authors:  Aaron J Sholders; Olve B Peersen
Journal:  J Mol Biol       Date:  2014-01-12       Impact factor: 5.469

10.  Mutational analysis of the purine riboswitch aptamer domain.

Authors:  Sunny D Gilbert; Crystal E Love; Andrea L Edwards; Robert T Batey
Journal:  Biochemistry       Date:  2007-10-26       Impact factor: 3.162

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