Items where Year is 2006

A

Althaus, E. and Caprara, A. and Lenhof, H.-P. and Reinert, K. (2006) A Branch-and-Cut Algorithm for Multiple Sequence Alignment. Mathematical Programming (105). pp. 387-425.

B

Barth, I. and Gonzalez, L. and Lasser, C. and Manz, J. and Rozgonyi, T. (2006) Laser control of nuclear and electron dynamics: bond selective photodissociation and electron circulation. In: Coherent Control of Molecules. Collaborative Computational Project (6). Daresbury Laboratory, pp. 18-27.

Bastian, P. and Blatt, M. and Engwer, C. and Dedner, A. and Klöfkorn, R. and Kuttanikkad, S. P. and Ohlberger, M. and Sander, O. (2006) The Distributed and Unified Numerics Environment (DUNE). Proc. of the 19th Symposium on Simulation Technique .

Becker, T. and Fischer, S. and Noé, F. and Tournier, A. and Ullmann, M. and Kurkal, V. and Smith, J. C. (2006) Physical and functional aspects of protein dynamics. Soft Condensed Matter Physics in Molecular and Cell Biology, Poon & Andelman (Eds) .

Bernhard, S. (2006) Transient integral boundary layer method to calculate the translesional pressure drop and the fractional flow reserve in myocardial bridges. BioMedical Engineering OnLine, 5 (42).

Bernhard, S. (2006) Transient integral boundary layer method to simulate entrance flow conditions in one-dimensional arterial blood flow. PhD thesis, Georg-August-Universität Göttingen.

Bonačić-Koutecký, V. and Mitrić, R. and Bürgel, Ch. and Schäfer-Bung, B. (2006) Cluster Properties in the regime in which each atom counts. Comput. Mater. Sci., 35 (3). pp. 151-157.

Bornemann, F. A. and Lasser, C. and Swart, T. (2006) Energy Level Crossings in Molecular Dynamics. In: Analysis, Modeling and Simulation of Multiscale Problems. Springer, Berlin, pp. 577-594.

C

Caselles, V. and Igual, L. and Sander, O. (2006) An axiomatic approach to scalar data interpolation on surfaces. Numerische Mathematik, 102 (3). pp. 383-411. ISSN 0029-599X

Cohen, D. and Jahnke, T. and Lorenz, K. and Lubich, Ch. (2006) Numerical Integrators for Highly Oscillatory Hamiltonian Systems: A Review. In: Analysis, Modeling and Simulation of Multiscale Problems.

Conrad, T. O. F. and Leichtle, A. and Hagehülsmann, A. and Diederichs, E. and Baumann, S. and Thiery, J. and Schütte, Ch. (2006) Beating the Noise: New Statistical Methods for Detecting Signals in MALDI-TOF Spectra Below Noise Level. Lecture Notes in Computer Science, 4216 . pp. 119-128.

D

Dellnitz, M. and Molo, M. and Metzner, Ph. and Preis, R. and Schütte, Ch. (2006) Graph Algorithms for Dynamical Systems. In: Analysis, Modeling and Simulation of Multiscale Problems.

Deuflhard, P. and Ertel, S. and Kornhuber, R. and Krause, R. and Sander, O. (2006) Patient-specific simulation of dynamic stress distribution in the human knee. Journal of Biomechanics, 39 . p. 47. ISSN 0021-9290

F

Futterer, B. and Gellert, M. and Huschto, M. and von Larcher, T. and Egbers, C. (2006) Microgravity Science on International Space Station (ISS): The Geoflow Experiment. Forum der Forschung, 10. Jahrgang (19). pp. 113-118. ISSN 0947-6989

G

Gebauer, S. and Kornhuber, R. and Yserentant, H. (2006) Hierarchical decomposition of domains with fractures. Mathematics of Computation, 75 (253). pp. 73-90. ISSN 00255718

H

Horenko, I. and Dittmer, E. and Fischer, A. and Schütte, Ch. (2006) Automated Model Reduction for Complex Systems exhibiting Metastability. Mult. Mod. Sim., 5 (3). pp. 802-827.

Horenko, I. and Hartmann, C. (2006) Blind Model Reduction for High-Dimensional Time-Dependent Data. Technical Report. Freie Universität Berlin. (Unpublished)

Horenko, I. and Schmidt-Ehrenberg, J. and Schütte, Ch. (2006) Set-Oriented Dimension Reduction: Localizing Principal Component Analysis via Hidden Markov Models. In: Computational Life Sciences II.

I

Imhof, P. and Noé, F. (2006) AM1/d Parameters for Magnesium in Metalloenzymes. J. Chem. Theo. Comput., 2 . pp. 1050-1056.

K

Kiljunen, T. and Schmidt, B. and Schwentner, N. (2006) Time-Dependent Alignment of Molecules Trapped in Octahedral Crystal Fields. J. Chem. Phys., 124 (16). p. 164502.

Klein, R. (2006) Theoretical Developments in Tropical Meteorology. In: Theoretical and Computational Fluid Dynamics. Springer Verlag.

Klein, R. and Majda, A. J. (2006) Systematic Multiscale Models for Deep Convection on Mesoscales. Theoretical and Computational Fluid Dynamics, 20 (5-6). pp. 525-551. ISSN 0935-4964 (Print) 1432-2250 (Online)

Kohlbacher, O. and Reinert, K. and Gröpl, C. and Lange, E. and Pfeiffer, N. and Schulz-Trieglaff, O. and Sturm, M. (2006) TOPP - The OpenMS Proteomics Pipeline. In: Proceedings of the 5th European Conference on Computational Biology (ECCB 2006).

Kornhuber, R. and Krause, R. (2006) Robust multigrid methods for vector-valued Allen-Cahn equations with logarithmic free energy. Computing and Visualization in Science, 9 (2). pp. 103-116. ISSN 1432-9360

Krause, R. and Sander, O. (2006) Automatic construction of boundary parametrizations for geometric multigrid solvers. Computing and Visualization in Science, 9 (1). pp. 11-22. ISSN 1432-9360

L

Lange, E. and Gröpl, C. and Reinert, K. and Hildebrandt, A. (2006) High Accuracy Peak-Picking of Proteomics Data using Wavelet Techniques. In: Proceedings of the 11th Pacific Symposium on Biocomputing (PSB-06).

Lorenz, S. (2006) The model-data-overlap: A new approach to parameter estimation, model validation, selection and discrimination. PhD thesis, Free University of Berlin.

M

Mayr, B. M. and Kohlbacher, O. and Reinert, K. and Gröpl, C. and Lange, E. and Klein, C. L. and Huber, Ch. (2006) Absolute Myoglobin Quantitation in Serum by Combining Two-Dimensional Liquid Chromatography-Electrospray Ionization Mass Spectrometry and Novel Data Analysis Algorithms. Journal of Proteome Research, 5 . pp. 414-421.

Meerbach, E. and Dittmer, E. and Horenko, I. and Schütte, Ch. (2006) Multiscale Modelling in Molecular Dynamics: Biomolecular Conformations as Metastable States. In: Computer Simulations in Condensed Matter: Systems: From Materials to Chemical Biology. Volume I.

Metzner, Ph. and Schütte, Ch. and Vanden-Eijnden, E. (2006) Illustration of Transition Path Theory on a Collection of Simple Examples. J. Chem. Phys., 125 (8). 084110.

Münch, M. and Schmidt, H. and Oevermann, M. and Klein, R. (2006) Numerical Investigation of the Baroclinic Torque in the Context of Smoke Spread. In: 31th Int. Symp. on Combustion, Aug. 6-11, 2006, The Combustion Institute, Heidelberg.

Münch, M. (2006) Kritische Numerische Aspekte bei der Anwendung von Feldmodellen. In: 55. Jahresfachtagung der Vereinigung zur Förderung des Deutschen Brandschutzes e.V., 21. - 25. Mai 2006, Salzburg.

N

Noé, F. (2006) Transition Networks: Computational Methods for the Comprehensive Analysis of Complex Rearrangements in Proteins. PhD thesis, University of Heidelberg.

Noé, F. and Krachtus, D. and Smith, J. C. and Fischer, S. (2006) Transition Networks for the Comprehensive Characterization of Complex Conformational Change in Proteins. J. Chem. Theo. Comput., 2 . pp. 840-857.

Noé, F. and Oswald, M. and Reinelt, G. and Smith, J. C. and Fischer, S. (2006) Computing Best Transition Pathways in High-Dimensional Dynamical Systems. Multisc. Model. Sim., 5 . pp. 393-419.

O

Oevermann, M. and Klein, R. (2006) A cartesian grid finite volume method for the solution of the Poisson equation with variable coefficients and embedded interfaces. Journal of Computational Physics, 219 (2). 749-769 .

Oevermann, M. and Klein, R. (2006) A cartesian grid finite volume method for the solution of the Poisson equation with variable coefficients and embedded interfaces. JCP .

R

Rausch, T. (2006) Discovering causes of multifactorial diseases. Masters thesis, Hasso-Plattner-Institut für Softwaresystemtechnik GmbH, Universität Potsdam.

Reinert, K. and Kohlbacher, O. and Gröpl, C. and Lange, E. and Schulz-Trieglaff, O. and Sturm, M. and Pfeifer, N. (2006) OpenMS - A Framework for Quantitative HPLC/MS-Based Proteomics. In: Computational Proteomics.

S

Sander, O. (2006) A fast solver for finite deformation contact problems. Preprint A-06-02 . (Unpublished)

Schmidt, H. and Klein, R. (2006) Extension of a front capturing/tracking scheme for premixed flames to a novel type of two scale turbulence modeling. In: Proc. SIAM Conference on Numerical Combustion, April 23 - 26, 2006, Granada, Spain.

Schmidt, H. and Münch, M. and Klein, R. and Oevermann, M. (2006) A Zero Mach Number Projection Method Coupled To External Acoustics. In: 77th Annual Meeting of the Gesellschaft für Angewandte Mathematik und Mechanik e.V., March 27-31, 2006, TU-Berlin.

Schmidt, H. and Oevermann, M. and Münch, M. and Klein, R. (2006) Flame Front Capturing/Tracking Methods for Zero Mach Number Combustion. In: 31th Int. Symp. on Combustion, Aug 6-11, 2006, The Combustion Institute, Heidelberg.

Schmidt, H. and Oevermann, M. and Münch, M. and Klein, R. (2006) Flame front capturing/tracking schemes for compressible and incompressible reactive flow. TU Delft, The Netherlands , Proceedings of the European Conference on Computational Fluid Dynamics (ECCOMAS CFD). ISBN 90-9020970-0

Schäfer-Bung, B. and Bonačić-Koutecký, V. and Sauer, F. and Weber, S. and Wöste, L. and Lindinger, A. (2006) Isotope selective photoionization of NaK by optimal control: Theory and experiment. J. Chem. Phys., 125 (21). 214310-1-214310-8.

Schäfer-Bung, B. and Mitrić, R. and Bonačić-Koutecký, V. (2006) Photostabilization of ultracold Rb2 molecules by optimal control. J. Phys. B, 39 (19). S1043-S1053.

T

Telgmann, R. and von Kleist, M. and Huisinga, W. (2006) Software Supported Modelling in Pharmacokinetics. In: Computational Life Sciences II.

V

Vater, S. and Klein, R. (2006) Stability of a Projection Method for the Zero Froude Number Shallow Water Equations. In: Eleventh International Conference on Hyperbolic Problems Theory, Numerics, Applications, July 17-21, 2006, École Normale Supérieure de Lyon, France.

Vercauteren, N. (2006) Numerical investigation of solutions of Langevin equations. Masters thesis, Freie Universität Berlin, EPFL.

von Larcher, T. and Egbers, C. (2006) Experimentelle Untersuchung von Strömungsphänomenen freier Konvektion in einem rotierenden, von innen gekühlten Zylinderspalt. Proceedings der 14. GALA-Fachtagung . Deutsche Gesellschaft für Laser-Anemometrie GALA e.V., Lasermethoden in der Strömungsmesstechnik. ISBN 9805613-3-X

W

Waidmann, M. and Waidmann, C. and Saile, D. and Grillmayer, G. (2006) Use of new developments on attitude control sensors for the microsatellite Flying Laptop. Proceedings of the 57th IAC/IAF/IAA, Valencia, Spain .

Walter, J. (2006) Averaging for Diffusive Fast-Slow Systems with Metastability in the Fast Variable. PhD thesis, Free University of Berlin.

Walter, J. and Schütte, Ch. (2006) Conditional Averaging for Diffusive Fast-Slow Systems: A Sketch for Derivation. In: Analysis, Modeling and Simulation of Multiscale Problems.

Weese, D. (2006) Entwurf und Implementierung eines generischen Substring-Index. Other thesis, Humboldt-University.

Weiße, A. Y. and Horenko, I. and Huisinga, W. (2006) Adaptive Approach for Modelling Variability in Pharmacokinetics. In: Computational Life Sciences II.

Wolski, W. E. and Farrow, M. and Emde, A.-K. and Maciej, L. and Lehrach, H. and Reinert, K. (2006) Analytical model of peptide mass cluster centres with applications. Proteome Science, 4 (18). doi:10.1186/1477-5956.