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Volumn 8, Issue 2, 2009, Pages 701-716

On metastable conformational analysis of nonequilibrium biomolecular time series

Author keywords

Clustering; Dimension reduction; Hidden Markov models; Molecular dynamics; Time series analysis

Indexed keywords

BIO-MOLECULAR; CLUSTERING; CLUSTERING METHODS; CLUSTERING TECHNIQUES; COMPUTATIONAL FRAMEWORK; CONFORMATIONAL ANALYSIS; DIMENSION REDUCTION; DIMENSION REDUCTION METHOD; GEOMETRICAL RESOLUTION; K-MEANS ALGORITHM; MACHINE-LEARNING; METASTABILITIES; MOLECULAR DYNAMICS SIMULATIONS; NON EQUILIBRIUM; OBSERVED DATA; PRINCIPLE COMPONENT ANALYSIS; TORSION ANGLE;

EID: 77956052048     PISSN: 15403459     EISSN: 15403467     Source Type: Journal    
DOI: 10.1137/080744347     Document Type: Article
Times cited : (4)

References (33)
  • 1
    • 0000573002 scopus 로고    scopus 로고
    • A direct approach to conformational dynamics based on hybrid Monte Carlo
    • C. Schütte, A. Fischer, W. Huisinga, and P. Deuflhard, A direct approach to conformational dynamics based on hybrid Monte Carlo, J. Comput. Phys., 151 (1999), pp. 146-168.
    • (1999) J. Comput. Phys. , vol.151 , pp. 146-168
    • Schütte, C.1    Fischer, A.2    Huisinga, W.3    Deuflhard, P.4
  • 2
    • 13544266845 scopus 로고    scopus 로고
    • Mathematical analysis and simulation of conformational dynamics of biomolecules
    • P. G. Ciaret and J.-L. Lions, eds., Elsevier, New York
    • C. Schütte and W. Huisinga, Mathematical analysis and simulation of conformational dynamics of biomolecules, in Handbook of Numerical Analysis X, Computational Chemistry, P. G. Ciaret and J.-L. Lions, eds., Elsevier, New York, 2003, pp. 699-744.
    • (2003) Handbook of Numerical Analysis X, Computational Chemistry , pp. 699-744
    • Schütte, C.1    Huisinga, W.2
  • 3
    • 0034370539 scopus 로고    scopus 로고
    • Identification of almost invariant aggregates in reversible nearly uncoupled Markov chains
    • P. Deuflhard, W. Huisinga, A. Fischer, and C. Schütte, Identification of almost invariant aggregates in reversible nearly uncoupled Markov chains, Linear Algebra Appl., 315 (2000), pp. 39-59.
    • (2000) Linear Algebra Appl. , vol.315 , pp. 39-59
    • Deuflhard, P.1    Huisinga, W.2    Fischer, A.3    Schütte, C.4
  • 6
    • 0031910020 scopus 로고    scopus 로고
    • Locally accessible conformations of proteins: Multiple molecular dynamics simulations of crambin
    • J. Evanseck, L. Caves, and M. Karplus, Locally accessible conformations of proteins: Multiple molecular dynamics simulations of crambin, Protein Sci., 7 (1998), pp. 646-666.
    • (1998) Protein Sci. , vol.7 , pp. 646-666
    • Evanseck, J.1    Caves, L.2    Karplus, M.3
  • 7
    • 46749110017 scopus 로고    scopus 로고
    • Molecular dynamics and principal components analysis of human telomeric quadruplex multimers
    • S. Neidle, S. Haider, and G. Parkinson, Molecular dynamics and principal components analysis of human telomeric quadruplex multimers, Biophys. J., 95 (2008), pp. 296-311.
    • (2008) Biophys. J. , vol.95 , pp. 296-311
    • Neidle, S.1    Haider, S.2    Parkinson, G.3
  • 8
    • 33746080864 scopus 로고    scopus 로고
    • Reduced stochastic models for complex molecular systems
    • I. Horenko, E. Dittmer, and Ch. Schütte, Reduced stochastic models for complex molecular systems, Comput. Vis. Sci., 9 (2006), pp. 89-102.
    • (2006) Comput. Vis. Sci. , vol.9 , pp. 89-102
    • Horenko, I.1    Dittmer, E.2    Schütte, C.3
  • 9
    • 55149108337 scopus 로고    scopus 로고
    • Likelihood-based estimation of multidimensional Langevin models and its application to biomolecular dynamics
    • I. Horenko and C. Schuette, Likelihood-based estimation of multidimensional Langevin models and its application to biomolecular dynamics, Multiscale Model. Simul., 7 (2008), pp. 731-773.
    • (2008) Multiscale Model. Simul. , vol.7 , pp. 731-773
    • Horenko, I.1    Schuette, C.2
  • 10
    • 33750306323 scopus 로고    scopus 로고
    • Set-oriented dimension reduction: Localizing principal component analysis via hidden markov models
    • R. Glen M. R. Berthold, and I. Fischer, eds., Springer, Berlin
    • I. Horenko, J. Schmidt-Ehrenberg, and Ch. Schütte, Set-oriented dimension reduction: Localizing principal component analysis via hidden markov models, in CompLife 2006, Lecture Notes in Bioinformatics 4216, R. Glen, M. R. Berthold, and I. Fischer, eds., Springer, Berlin, 2006, pp. 98-115.
    • (2006) CompLife 2006, Lecture Notes in Bioinformatics , vol.4216 , pp. 98-115
    • Horenko, I.1    Schmidt-Ehrenberg, J.2    Schütte, C.3
  • 11
    • 77249138268 scopus 로고    scopus 로고
    • Finite element approach to clustering of multidimensional time series
    • I. Horenko, Finite element approach to clustering of multidimensional time series, SIAM J. Sci. Comput., 32 (2010), pp. 62-83.
    • (2010) SIAM J. Sci. Comput. , vol.32 , pp. 62-83
    • Horenko, I.1
  • 12
    • 75149146645 scopus 로고    scopus 로고
    • On clustering of non-stationary meteorological time series
    • I. Horenko, On clustering of non-stationary meteorological time series, Dyn. Atmos. Oceans, 49 (2010), pp. 164-187.
    • (2010) Dyn. Atmos. Oceans , vol.49 , pp. 164-187
    • Horenko, I.1
  • 13
    • 69949148733 scopus 로고    scopus 로고
    • On robust estimation of low-frequency variability trends in discrete Markovian sequences of atmospherical circulation patterns
    • I. Horenko, On robust estimation of low-frequency variability trends in discrete Markovian sequences of atmospherical circulation patterns, J. Atmospheric. Sci., 66 (2009), pp. 2059-2072.
    • (2009) J. Atmospheric. Sci. , vol.66 , pp. 2059-2072
    • Horenko, I.1
  • 14
    • 34247380700 scopus 로고    scopus 로고
    • Automated model reduction for complex systems exhibiting metastability
    • I. Horenko, E. Dittmer, A. Fischer, and Ch. Schuette, Automated model reduction for complex systems exhibiting metastability, Multiscale Model. Simul., 5 (2006), pp. 802-827.
    • (2006) Multiscale Model. Simul. , vol.5 , pp. 802-827
    • Horenko, I.1    Dittmer, E.2    Fischer, A.3    Schuette, C.4
  • 16
    • 45849084703 scopus 로고    scopus 로고
    • On simultaneous data-based dimension reduction an hidden phase identification
    • I. Horenko, On simultaneous data-based dimension reduction an hidden phase identification, J. Atmospheric Sci., 65 (2008), pp. 1941-1954.
    • (2008) J. Atmospheric Sci. , vol.65 , pp. 1941-1954
    • Horenko, I.1
  • 17
    • 55149085946 scopus 로고    scopus 로고
    • Automated generation of reduced stochastic weather models I: Simultaneous dimension and model reduction for time series analysis
    • I. Horenko, R. Klein, S. Dolaptchiev, and Ch. Schuette, Automated generation of reduced stochastic weather models I: simultaneous dimension and model reduction for time series analysis, Multiscale Model. Simul., 6 (2008), pp. 1125-1145.
    • (2008) Multiscale Model. Simul. , vol.6 , pp. 1125-1145
    • Horenko, I.1    Klein, R.2    Dolaptchiev, S.3    Schuette, C.4
  • 18
    • 58049093933 scopus 로고    scopus 로고
    • Metastable decomposition of high-dimensional meteorological data with gaps
    • I. Horenko, S. Dolaptchiev, A. Eliseev, I. Mokhov, and R. Klein, Metastable decomposition of high-dimensional meteorological data with gaps, J. Atmospheric Sci., 65 (2008), pp. 3479-3496.
    • (2008) J. Atmospheric Sci. , vol.65 , pp. 3479-3496
    • Horenko, I.1    Dolaptchiev, S.2    Eliseev, A.3    Mokhov, I.4    Klein, R.5
  • 21
    • 33750161640 scopus 로고    scopus 로고
    • Newton methods for nonlinear problems, affine invariance and adaptive algorithms
    • Springer, Berlin
    • P. Deuflhard, Newton Methods for Nonlinear Problems, Affine Invariance and Adaptive Algorithms, Comput. Math. 35, Springer, Berlin, 2004.
    • (2004) Comput. Math. , vol.35
    • Deuflhard, P.1
  • 22
    • 0000418073 scopus 로고
    • On the stability of inverse problems
    • A. Tikhonov, On the stability of inverse problems, Dokl. Akad. Nauk, 39 (1943), pp. 195-198.
    • (1943) Dokl. Akad. Nauk , vol.39 , pp. 195-198
    • Tikhonov, A.1
  • 23
    • 0002161961 scopus 로고
    • Application of ridge analysis to regression problems
    • A. Hoerl, Application of ridge analysis to regression problems, Chem. Engrg. Progress, 58 (1962), pp. 54-59.
    • (1962) Chem. Engrg. Progress , vol.58 , pp. 54-59
    • Hoerl, A.1
  • 28
    • 36849010656 scopus 로고    scopus 로고
    • Generator estimation of Markov jump processes based on incomplete observations nonequidistant in time
    • Ph. Metzner, I. Horenko, and Ch. Schuette, Generator estimation of Markov jump processes based on incomplete observations nonequidistant in time, Phys. Rev. E, 227 (2007), p. 066702.
    • (2007) Phys. Rev. E , vol.227 , pp. 066702
    • Metzner, P.1    Horenko, I.2    Schuette, C.3
  • 29
    • 13544266845 scopus 로고    scopus 로고
    • Biomolecular conformations can be identified as metastable sets of molecular dynamics
    • P. G. Ciaret and J.-L. Lions, eds., Elsevier, New York
    • Ch. Schütte and W. Huisinga, Biomolecular conformations can be identified as metastable sets of molecular dynamics, in Handbook of Numerical Analysis, Vol. X, P. G. Ciaret and J.-L. Lions, eds., Elsevier, New York, 2003, pp. 699-744.
    • (2003) Handbook of Numerical Analysis , vol.10 , pp. 699-744
    • Schütte, C.1    Huisinga, W.2


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