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Publications
- F. Noé, I. Daidone, J.C. Smith, A. di Nola and A. Amadei
"Solvent Electrostriction Driven Peptide Folding revealed by Quasi-Gaussian Entropy Theory and Molecular Dynamics Simulation",
J. Phys. Chem. B, 112, 11155-11163 (2008).
- C. Schütte, F. Noé, E. Meerbach, P. Metzner and C. Hartmann
"Conformation Dynamics",
Proceedings of the ICIAM 2007, in press.
- F. Noé
"Probability Distributions of Molecular Observables computed from Markov Models",
J. Chem. Phys., 128, 244103 (2008).
- F. Noé, S. Fischer:
"Transition Networks for Modeling the Kinetics of Conformational Change in Macromolecules",
Curr. Opin. Struct. Biol., 18, 154-162 (2008).
- F. Noé, M. Oswald and G. Reinelt:
"Optimization in Graphs with Limited Information on the Edge Weights",
In: Operations Research Proceedings J. Kalcsics and S. Nickel (Eds), 435-440, Springer (2007).
- I. Horenko, C. Hartmann, C. Schütte and F. Noé:
"Data-based parameter estimation of generalized Langevin processes"
Phys. Rev. E 76, 016706 (2007).
- F. Noé, I. Horenko, C. Schütte and J.C. Smith:
"Hierarchical Analysis of Conformational Dynamics in Biomolecules: Transition Networks of Metastable States".
J. Chem. Phys. 126, 155102 (2007).
- F. Noé and J.C. Smith and C. Schütte:
"A network-based approach to biomolecular dynamics".
In: "From Computational Biophysics to Systems Biology". U. H. E. Hansmann and J. Meinke and S. Mohanty and O. Zimmermann (Eds), 247-250, John von Neumann Institute for Computing, Juelich (2007).
- F. Noé and J.C. Smith:
"Transition Networks: a unifying theme for molecular simulation and computer science".
In: "Mathematical Modeling of Biological Systems I". A. Deutsch, L. Brusch, H. Byrne, G. de Vries and H.-P. Herzel (Eds), 125-144, Birkhaeuser Boston (2007).
- P. Imhof, F. Noé, S. Fischer and J.C. Smith:
"AM1/d Parameters for Magnesium in Metalloenzymes".
J. Chem. Theo. Comput. 2, 1050-1056 (2006).
- F. Noé, D. Krachtus, J.C. Smith and S. Fischer:
"Transition Networks for the Comprehensive Characterization of Complex Conformational Change in Proteins"
J. Chem. Theo. Comput. 2, 840-857 (2006)
- F. Noé, M. Oswald, G. Reinelt, J.C. Smith and S. Fischer:
"Computing Best Transition Pathways in High-Dimensional Dynamical Systems"
Multisc. Model. Sim. 5, 393-419 (2006).
- F. Noé:
"Transition Networks: Computational Methods for the Comprehensive Analysis of Complex Rearrangements in Proteins."
Ph.D. thesis, University of Heidelberg, 2006.
- F. Noé, J.C. Smith and S. Fischer:
"Automated Computation of Low-Energy Pathways for Complex Rearrangements in Proteins: Application to the conformational switch of Ras p21."
Proteins. 59, 534-544 (2005).
- T. Becker, S. Fischer, F. Noé, A.L. Tournier, G.M. Ullmann, V. Kurkal and J.C. Smith:
"Physical and functional aspects of protein dynamics."
In: Soft Condensed Matter Physics in Molecular and Cell Biology, Poon & Andelman (Eds), 225-241, Taylor&Francis (2006).
- F. Noé, S.M. Schwarzl, S. Fischer and J.C. Smith:
"Computational tools for analysing structural changes in proteins in solution."
Applied Bioinformatics, 2, 11-17 (2003).
- T. Becker, S. Fischer, F. Noé, M. Ullmann, A. Tournier and J.C. Smith: "Protein Dynamics: Glass Transition and Mechanical Function."
Advances in Solid State Physics 43. Ed. B. Kramer.
Springer-Verlag Heidelberg 2003, 677-694.
- F. Noé:
"The Evolution of Cell Colonies in Volvocacean Algae: Investigation by theoretical analysis and computer simulation."
Master of Science thesis, Cork Institute of Technology, Ireland.
- F. Noé:
"Components for a PC-based Driver-Information System".
Bachelor of Science thesis, University of Cooperative Education, Stuttgart, Germany.
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