-
1
-
-
0000573002
-
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
-
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
-
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
-
5
-
-
77956024165
-
-
John Wiley and Sons, New York
-
F. Höppner, F. Klawonn, R. Kruse, and T. Runkler, Fuzzy cluster analysis, John Wiley and Sons, New York, 1999.
-
(1999)
Fuzzy CXluster Analysis
-
-
Höppner, F.1
Klawonn, F.2
Kruse, R.3
Runkler, T.4
-
6
-
-
0031910020
-
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
-
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
-
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
-
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
-
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
-
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
-
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
-
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
-
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
-
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
-
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
-
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
-
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
-
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
-
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
-
26
-
-
11744252548
-
-
Technical report, Stanford Univ CA Systems Optimization Lab
-
P. Gill, W. Murray, M. Saunders, and M. Wright, A Schur-Complement Method for Sparse Quadratic Programming, Technical report, Stanford Univ CA Systems Optimization Lab, 1987.
-
(1987)
A Schur-Complement Method for Sparse Quadratic Programming
-
-
Gill, P.1
Murray, W.2
Saunders, M.3
Wright, M.4
-
28
-
-
36849010656
-
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
-
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
-
31
-
-
0034625269
-
High performance computational chemistry: An overview of NWChem a distributed parallel application
-
R. A. Kendall, E. Apra, D. E. Bernholdt, E. J. Bylaska, M. Dupuis, G. I. Fann, R. J. Harrison, J. Ju, J. A. Nichols, J. Nieplocha, T. P. Straatsma, T. L. Windus, and A. T. Wong, High performance computational chemistry: An overview of NWChem a distributed parallel application, Comput. Phys. Comm., 128 (2000), pp. 260-283.
-
(2000)
Comput. Phys. Comm.
, vol.128
, pp. 260-283
-
-
Kendall, R.A.1
Apra, E.2
Bernholdt, D.E.3
Bylaska, E.J.4
Dupuis, M.5
Fann, G.I.6
Harrison, R.J.7
Ju, J.8
Nichols, J.A.9
Nieplocha, J.10
Straatsma, T.P.11
Windus, T.L.12
Wong, A.T.13
-
32
-
-
0003857778
-
-
Technical report, International Computer Science Institute, Berkeley, CA
-
J. A. Bilmes, A Gentle Tutorial of the EM Algorithm and Its Applications to Parameter Estimation for Gaussian Mixture and Hidden Markov Models, Technical report, International Computer Science Institute, Berkeley, CA, 1998.
-
(1998)
A Gentle Tutorial of the EM Algorithm and Its Applications to Parameter Estimation for Gaussian Mixture and Hidden Markov Models
-
-
Bilmes, J.A.1
-
33
-
-
35348972187
-
Metastable conformational structure and dynamics: Peptides between gas phase and aqueous solution
-
O. Kühn and L. Woeste, eds., Springer, Berlin
-
E. Meerbach, Ch. Schütte, I. Horenko, and B. Schmidt, Metastable conformational structure and dynamics: Peptides between gas phase and aqueous solution, in Analysis and Control of Ultrafast Photoinduced Reactions, Series in Chemical Physics 87, O. Kühn and L. Woeste, eds., Springer, Berlin, 2007, pp. 796-806.
-
(2007)
Analysis and Control of Ultrafast Photoinduced Reactions, Series in Chemical Physics
, vol.87
, pp. 796-806
-
-
Meerbach, E.1
Schütte, C.2
Horenko, I.3
Schmidt, B.4
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