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Volumn 1084, Issue , 2014, Pages 193-226

Principal component analysis: A method for determining the essential dynamics of proteins

Author keywords

Collective motions; Conformational ensemble; Conformational sampling; Elastic network; Essential dynamics; Geometric simulation; Independent component analysis; Kernel PCA; Molecular dynamics simulation; PCA; Principal component analysis; Protein dynamics; Subspace analysis

Indexed keywords

PROTEIN;

EID: 84934436648     PISSN: 10643745     EISSN: None     Source Type: Book Series    
DOI: 10.1007/978-1-62703-658-0_11     Document Type: Article
Times cited : (727)

References (52)
  • 2
    • 58149421595 scopus 로고
    • Analysis of a complex of statistical variables into principal components
    • Hotelling H (1933) Analysis of a complex of statistical variables into principal components. J Educ Psychol 24:441
    • (1933) J Educ Psychol , vol.24 , pp. 441
    • Hotelling, H.1
  • 4
    • 77957553895 scopus 로고    scopus 로고
    • Wiley Interdisciplinary Reviews: Computational Statistics
    • Abdi H, Williams LJ (2010) Principal component analysis. Wiley Interdisciplinary Reviews: Computational Statistics 2:433-459
    • (2010) Principal Component Analysis , vol.2 , pp. 433-459
    • Abdi, H.1    Williams, L.J.2
  • 5
    • 34548463136 scopus 로고    scopus 로고
    • 2nd edn Springer series in statistics. Springer, New York p. 28 illus. ISBN 978-0-387-95442-4
    • Jolliffe IT (2002) Principal component analysis, vol XXIX, 2nd edn, Springer series in statistics. Springer, New York, p 487, p. 28 illus. ISBN 978-0-387-95442-4
    • (2002) Principal Component Analysis , vol.29 , pp. 487
    • Jolliffe, I.T.1
  • 6
    • 0001295503 scopus 로고    scopus 로고
    • Principal component analysis and long time protein dynamics
    • Balsera MA, Wriggers W, Oono Y, Schulten K (1996) Principal component analysis and long time protein dynamics. J Phys Chem 100:2567-2572
    • (1996) J Phys Chem , vol.100 , pp. 2567-2572
    • Balsera, M.A.1    Wriggers, W.2    Oono, Y.3    Schulten, K.4
  • 7
    • 0000216012 scopus 로고
    • Collective protein dynamics and nuclear spin relaxation
    • Bruschweiler R (1995) Collective protein dynamics and nuclear spin relaxation. J Chem Phys 102(8):3396-3403
    • (1995) J Chem Phys , vol.102 , Issue.8 , pp. 3396-3403
    • Bruschweiler, R.1
  • 8
    • 0034127361 scopus 로고    scopus 로고
    • Collective protein dynamics in relation to function
    • Berendsen HJ, Hayward S (2000) Collective protein dynamics in relation to function. Curr Opin Struct Biol 10:165-169
    • (2000) Curr Opin Struct Biol , vol.10 , pp. 165-169
    • Berendsen, H.J.1    Hayward, S.2
  • 11
    • 0036721233 scopus 로고    scopus 로고
    • Normal mode analysis of macromolecular motions in a database framework: Developing mode concentration as a useful classifying statistic
    • Krebs WG, Alexandrov V, Wilson CA, Echols N, Yu H, Gerstein M (2002) Normal mode analysis of macromolecular motions in a database framework: developing mode concentration as a useful classifying statistic. Proteins 48:682-695
    • (2002) Proteins , vol.48 , pp. 682-695
    • Krebs, W.G.1    Alexandrov, V.2    Wilson, C.A.3    Echols, N.4    Yu, H.5    Gerstein, M.6
  • 12
    • 0035044995 scopus 로고    scopus 로고
    • Conformational change of proteins arising from normal mode calculations
    • Sanejouand TF (2001) Conformational change of proteins arising from normal mode calculations. Protein Eng 14:1-6
    • (2001) Protein Eng , vol.14 , pp. 1-6
    • Sanejouand, T.F.1
  • 14
    • 0000197372 scopus 로고    scopus 로고
    • Large amplitude elastic motions in proteins from a single-parameter, atomic analysis
    • Tirion MM (1996) Large amplitude elastic motions in proteins from a single-parameter, atomic analysis. Phys Rev Lett 77:1905-1908
    • (1996) Phys Rev Lett , vol.77 , pp. 1905-1908
    • Tirion, M.M.1
  • 15
    • 38949218425 scopus 로고    scopus 로고
    • Close Correspondence between the motions from principal component analysis of multiple HIV-1 protease structures and elastic network modes
    • Yang L, Song G, Carriquiry A, Jernigan RL (2008) Close Correspondence between the motions from principal component analysis of multiple HIV-1 protease structures and elastic network modes. Structure 16:321-330
    • (2008) Structure , vol.16 , pp. 321-330
    • Yang, L.1    Song, G.2    Carriquiry, A.3    Jernigan, R.L.4
  • 16
    • 80053903522 scopus 로고    scopus 로고
    • Characterizing protein motions from structure
    • David CC, Jacobs DJ (2011) Characterizing protein motions from structure. J Mol Graph Model 31:41-56
    • (2011) J Mol Graph Model , vol.31 , pp. 41-56
    • David, C.C.1    Jacobs, D.J.2
  • 18
    • 34248159870 scopus 로고    scopus 로고
    • Thorough validation of protein normal mode analysis: A comparative study with essential dynamics
    • Rueda M, Chacó P, Orozco M (2007) Thorough validation of protein normal mode analysis: a comparative study with essential dynamics. Structure 15:565-575
    • (2007) Structure , vol.15 , pp. 565-575
    • Rueda, M.1    Chacó, P.2    Orozco, M.3
  • 20
    • 0033117937 scopus 로고    scopus 로고
    • Investigating protein dynamics in collective coordinate space
    • Kitao A, Go N (1999) Investigating protein dynamics in collective coordinate space. Curr Opin Struct Biol 9:164-169
    • (1999) Curr Opin Struct Biol , vol.9 , pp. 164-169
    • Kitao, A.1    Go, N.2
  • 21
    • 14844286108 scopus 로고    scopus 로고
    • Usefulness and limitations of normal mode analysis in modeling dynamics of biomolecular complexes
    • Ma J (2005) Usefulness and limitations of normal mode analysis in modeling dynamics of biomolecular complexes. Structure 13:373-380
    • (2005) Structure , vol.13 , pp. 373-380
    • Ma, J.1
  • 22
    • 0028877423 scopus 로고
    • Harmonicity and anharmonicity in protein dynamics: A normal mode analysis and principal component analysis
    • Hayward S, Kitao A, Go N (1995) Harmonicity and anharmonicity in protein dynamics: a normal mode analysis and principal component analysis. Proteins 23(2):177-186
    • (1995) Proteins , vol.23 , Issue.2 , pp. 177-186
    • Hayward, S.1    Kitao, A.2    Go, N.3
  • 23
    • 0028292635 scopus 로고
    • Harmonic and anharmonic aspects in the dynamics of BPTI: A normal mode analysis and principal component analysis
    • Hayward S, Kitao A, Go N (1994) Harmonic and anharmonic aspects in the dynamics of BPTI: a normal mode analysis and principal component analysis. Protein Sci 3 (6):936-943
    • (1994) Protein Sci , vol.3 , Issue.6 , pp. 936-943
    • Hayward, S.1    Kitao, A.2    Go, N.3
  • 24
    • 0002570938 scopus 로고    scopus 로고
    • Kernel principal component analysis
    • Scholkopf B, Burges CJC, Smola AJ (eds) MIT Press, Cambridge, MA
    • Scholkopf B, Smola A, Muller K-R (1999) Kernel principal component analysis. In: Scholkopf B, Burges CJC, Smola AJ (eds) Advances in kernel methods-support vector learning. MIT Press, Cambridge, MA, pp 327-352
    • (1999) Advances in Kernel Methods-support Vector Learning , pp. 327-352
    • Scholkopf, B.1    Smola, A.2    Muller, K.-R.3
  • 25
    • 77951062529 scopus 로고    scopus 로고
    • Robust vs. Classical principal component analysis in the presence of outliers
    • Sapra S (2010) Robust vs. classical principal component analysis in the presence of outliers. Appl Econ Lett 17:519-523
    • (2010) Appl Econ Lett , vol.17 , pp. 519-523
    • Sapra, S.1
  • 27
    • 0002954125 scopus 로고
    • Robust estimates, residuals, and outlier detection with multiresponse data
    • Gnanadesikan R, Kettenring J (1972) Robust estimates, residuals, and outlier detection with multiresponse data. Biometrics 28:81-124
    • (1972) Biometrics , vol.28 , pp. 81-124
    • Gnanadesikan, R.1    Kettenring, J.2
  • 29
    • 0141742284 scopus 로고    scopus 로고
    • A framework for robust subspace learning
    • De La Torre F, Black M (2003) A framework for robust subspace learning. Int J Comput Vis 54:117-142
    • (2003) Int J Comput Vis , vol.54 , pp. 117-142
    • De La Torre, F.1    Black, M.2
  • 30
    • 84888373188 scopus 로고    scopus 로고
    • Handling of data containing outliers. Wolfram Stacklies and Henning Redestig CAS-MPG Partner Institute for Computational Biology (PICB) Shanghai P.R. China and Max Planck Institute for Molecular Plant Physiology Potsdam, Germany
    • Handling of data containing outliers. Wolfram Stacklies and Henning Redestig CAS-MPG Partner Institute for Computational Biology (PICB) Shanghai, P.R. China and Max Planck Institute for Molecular Plant Physiology Potsdam, Germany
  • 31
    • 84888328789 scopus 로고    scopus 로고
    • Joint Outliers Principal Component Analysis. Georgy Gimel'farb, Alexander Shorin, and Patrice Delmas Dept. of Computer Science, University of Auckland, P.B. 92019, Auckland, New Zealand
    • Joint Outliers and Principal Component Analysis. Georgy Gimel'farb, Alexander Shorin, and Patrice Delmas. Dept. of Computer Science, University of Auckland, P.B. 92019, Auckland, New Zealand
  • 32
    • 49049119729 scopus 로고    scopus 로고
    • A General Framework for Increasing the Robustness of PCA-based Correlation Clustering Algorithms. Scientific and Statistical Database Management
    • Kriegel HP, Kröger P, Schubert E, Zimek A (2008) a general framework for increasing the robustness of PCA-based correlation clustering algorithms. Scientific and Statistical Database Management. Lecture Notes in Computer Science, vol 5069. p 418
    • (2008) Lecture Notes in Computer Science , vol.5069 , pp. 418
    • Kriegel, H.P.1    Kröger, P.2    Schubert, E.3    Zimek, A.4
  • 33
    • 84937549955 scopus 로고
    • The scree test for the number of factors
    • Cattell RB (1966) The scree test for the number of factors. Multivariate Behav Res 1 (2):245-276
    • (1966) Multivariate Behav Res , vol.1 , Issue.2 , pp. 245-276
    • Cattell, R.B.1
  • 34
    • 84950029242 scopus 로고
    • A comprehensive trial of the scree and KG criteria for determining the number of factors
    • Cattell RB, Vogelmann S (1977) A comprehensive trial of the scree and KG criteria for determining the number of factors. Multivariate Behav Res 12:289-325
    • (1977) Multivariate Behav Res , vol.12 , pp. 289-325
    • Cattell, R.B.1    Vogelmann, S.2
  • 36
    • 79952739488 scopus 로고    scopus 로고
    • Kinetics and thermodynamics of the rate limiting conformational change in the myosin v mechanochemical cycle
    • Jacobs DJ, Trivedi D, David CC, Yengo CM (2011) Kinetics and thermodynamics of the rate limiting conformational change in the myosin V mechanochemical cycle. J Mol Biol 407(5):716-730
    • (2011) J Mol Biol , vol.407 , Issue.5 , pp. 716-730
    • Jacobs, D.J.1    Trivedi, D.2    David, C.C.3    Yengo, C.M.4
  • 37
    • 84861851509 scopus 로고    scopus 로고
    • Switch II mutants reveal coupling between the nucleotide-and actin-binding regions in myosin v
    • doi:10.1016/j.bpj.2012. 04.025
    • Trivedi D, David CC, Jacobs DJ, Yengo CM (2012) Switch II mutants reveal coupling between the nucleotide-and actin-binding regions in myosin V. Biophys J 102 (11):2545-2555. doi:10.1016/j.bpj.2012. 04.025
    • (2012) Biophys J , vol.102 , Issue.11 , pp. 2545-2555
    • Trivedi, D.1    David, C.C.2    Jacobs, D.J.3    Yengo, C.M.4
  • 38
    • 27744471408 scopus 로고    scopus 로고
    • Constrained geometric simulation of diffusive motion in proteins
    • Wells SA, Menor S, Hespenheide BM, Thorpe MF (2005) Constrained geometric simulation of diffusive motion in proteins. Phys Biol 2: S127-S136
    • (2005) Phys Biol , vol.2
    • Wells, S.A.1    Menor, S.2    Hespenheide, B.M.3    Thorpe, M.F.4
  • 39
    • 77957948190 scopus 로고    scopus 로고
    • Generating stereochemically acceptable protein pathways
    • Farrell DW, Kirill S, Thorpe MF (2010) Generating stereochemically acceptable protein pathways. Proteins 78:2908-2921
    • (2010) Proteins , vol.78 , pp. 2908-2921
    • Farrell, D.W.1    Kirill, S.2    Thorpe, M.F.3
  • 40
    • 0035427398 scopus 로고    scopus 로고
    • Protein flexibility predictions using graph theory
    • Jacobs DJ, Rader AJ, Kuhn LA, Thorpe MF (2001) Protein flexibility predictions using graph theory. Proteins 44:150-165
    • (2001) Proteins , vol.44 , pp. 150-165
    • Jacobs, D.J.1    Rader, A.J.2    Kuhn, L.A.3    Thorpe, M.F.4
  • 41
    • 0032802062 scopus 로고    scopus 로고
    • On the convergence of the conformational coordinates basis set obtained by the essential dynamics analysis of proteins' molecular dynamics simulations
    • Amadei A, Ceruso MA, Di Nola A (1999) On the convergence of the conformational coordinates basis set obtained by the essential dynamics analysis of proteins' molecular dynamics simulations. Proteins 36:419-424
    • (1999) Proteins , vol.36 , pp. 419-424
    • Amadei, A.1    Ceruso, M.A.2    Di Nola, A.3
  • 43
    • 0002690241 scopus 로고
    • On principal angles between subspaces
    • Miao J, Ben-Israel A (1992) On principal angles between subspaces. Linear Algebra Appl 171:81-98
    • (1992) Linear Algebra Appl , vol.171 , pp. 81-98
    • Miao, J.1    Ben-Israel, A.2
  • 44
    • 30644462162 scopus 로고    scopus 로고
    • A formula for angles between subspaces of inner product spaces
    • Gunawan H, Neswan O, Setya-Budhi W (2005) A formula for angles between subspaces of inner product spaces. Contribut Algebra Geom 46(2):311-320
    • (2005) Contribut Algebra Geom , vol.46 , Issue.2 , pp. 311-320
    • Gunawan, H.1    Neswan, O.2    Setya-Budhi, W.3
  • 45
    • 33244482593 scopus 로고    scopus 로고
    • On the largest principal angle between random subspaces
    • Absil PA, Edelman A, Koev P (2006) On the largest principal angle between random subspaces. Linear Algebra Appl 414(1):288-294
    • (2006) Linear Algebra Appl , vol.414 , Issue.1 , pp. 288-294
    • Absil, P.A.1    Edelman, A.2    Koev, P.3
  • 46
    • 33845427546 scopus 로고
    • A study of a measure of sampling adequacy for factoranalytic correlation matrices
    • Cerny CA, Kaiser HF (1977) A study of a measure of sampling adequacy for factoranalytic correlation matrices. Multivariate Behav Res 12(1):43-47
    • (1977) Multivariate Behav Res , vol.12 , Issue.1 , pp. 43-47
    • Cerny, C.A.1    Kaiser, H.F.2
  • 47
    • 41349089279 scopus 로고    scopus 로고
    • Convergence of sampling in protein simulations
    • Hess B (2002) Convergence of sampling in protein simulations. Phys Rev E 65:031910
    • (2002) Phys Rev e , vol.65 , pp. 031910
    • Hess, B.1
  • 48
    • 12944249776 scopus 로고
    • A discussion of the solution for the best rotation to relate two sets of vectors
    • Kabsch W (1978) A discussion of the solution for the best rotation to relate two sets of vectors. Acta Crystallogr A 34:827-828
    • (1978) Acta Crystallogr A , vol.34 , pp. 827-828
    • Kabsch, W.1
  • 49
    • 0042826822 scopus 로고    scopus 로고
    • Independent component analysis: Algorithms and applications
    • Hyvarinen A, Oja E (2000) Independent component analysis: algorithms and applications. Neural Netw 13(4-5):411-430
    • (2000) Neural Netw , vol.13 , Issue.4-5 , pp. 411-430
    • Hyvarinen, A.1    Oja, E.2
  • 50
    • 0032629347 scopus 로고    scopus 로고
    • Fast and robust fixed-point algorithms for independent component analysis
    • Hyvarinen A (1999) Fast and robust fixed-point algorithms for independent component analysis. IEEE Trans Neural Netw 10(3):626-634
    • (1999) IEEE Trans Neural Netw , vol.10 , Issue.3 , pp. 626-634
    • Hyvarinen, A.1
  • 52
    • 84856508353 scopus 로고    scopus 로고
    • Independent principal component analysis for biologically meaningful dimension reduction of large biological data sets
    • Yao F, Coquery J, Lê Cao K (2012) Independent principal component analysis for biologically meaningful dimension reduction of large biological data sets. BMCBioinformatics 13:24
    • (2012) BMCBioinformatics , vol.13 , pp. 24
    • Yao, F.1    Coquery, J.2    Lê Cao, K.3


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