1. M. Weber, S. Kube, L. Walter, P. Deuflhard: Stable Computation of Probability Densities of Metastable Dynamical Systems. ZIB Report 06-39 (November 2006). Submitted.

  2. P. Deuflhard, Ch. Schütte: Molecular Conformation Dynamics and Computational Drug Design. In: J.M. Hill, R. Moore (eds), Applied Mathematics Entering the 21st Century, Invited Talks from the ICIAM 2003 Congress, Sydney, Australia, pp. 91-119 (2004).

  3. P. Deuflhard, M. Weber: Robust Perron Cluster Analysis in Conformation Dynamics. In: M. Dellnitz, S. Kirkland, M. Neumann and C. Schütte (eds.), Linear Algebra and Its Applications: Special Issue on Matrices and Mathematical Biology, Vol. 398C, pp. 161-184 (2004)

  4. P. Deuflhard: A Comparison of Related Concepts in Computational Chemistry and Mathematics. In: Chemisty and Mathematics: Two Scientific Languages of the 21st Century. Nova Acta Leopoldina NF Bd. 88, Nr. 330, pp. 51-66 (2003).

  5. P. Deuflhard: From Molecular Dynamics to Conformational Dynamics in Drug Design. In: M. Kirkilionis, S. Krömker, R. Rannacher, F. Toni (eds), Trends in Nonlinear Analysis, Springer-Verlag, pp. 269-288 (2003).

  6. A. Fischer, Ch. Schütte, P. Deuflhard, F. Cordes: Hierarchical Uncoupling-Coupling of Metastable Conformations. In: T.Schlick and H.H.Gan (eds.), Computational Methods for Macromolecules: Challenges and Applications. Proceedings of the 3rd International Workshop on Methods for Macromolecular Modeling, New York, 2000, Lecture Notes in Computational Science and Engineering (LNCSE), Vol. 24, Springer Verlag, (2002).

  7. T. Galliat, P. Deuflhard, R. Roitzsch, F. Cordes: Automatic Identification of Metastable Conformations via Self-Organized Neural Networks. In: T.Schlick and H.H.Gan (eds.), Computational Methods for Macromolecules: Challenges and Applications. Proceedings of the 3rd International Workshop on Methods for Macromolecular Modeling, New York, 2000, Lecture Notes in Computational Science and Engineering (LNCSE), Vol. 24, Springer Verlag, (2002).

  8. T. Galliat, W. Huisinga, P. Deuflhard: Self-Organizing Maps Combined with Eigenmode Analysis for Automated Cluster Identification. Konrad-Zuse-Zentrum Berlin, Preprint SC 99-38.

  9. P. Deuflhard: Differential Equations in Technology and Medicine. Computational Concepts, Adaptive Algorithms, and Virtual Labs. Computational Mathematics Driven by Industrial Applications. Lecture Notes in Mathematics 1739, Springer-Verlag, pp. 69-125 (2000).

  10. Ch. Schütte, A. Fischer, W. Huisinga, P. Deuflhard: A Direct Approach to Conformational Dynamics based on Hybrid Monte Carlo. J. Comput. Phys., Special Issue Comp. Biophysics, Academic Press, Vol. 151, pp. 146--169 (1999).

  11. Ch. Schütte, W. Huisinga, P. Deuflhard: Transfer Operator Approach to Conformational Dynamics in Biomolecular Systems. Konrad-Zuse-Zentrum Berlin, Preprint SC 99-36.

  12. P. Deuflhard, Ch. Schütte, F. Cordes, L. Müller-Kurth: Konformationsdynamik. Mathematischer Entwurf hochspezifischer Biomoleküle. In: D. Hömberg (ed.), 8. Veranstaltungsreihe Forschungspolitische Dialoge in Berlin: Angewandte Mathematik - die verborgene Schlüsseltechnologie, 30. April 1999, Konrad-Zuse-Zentrum Berlin, pp. 30-34 (1999).

  13. Ch. Schütte, A. Fischer, W. Huisinga, P. Deuflhard: A Hybrid Monte-Carlo Method for Essential Molecular Dynamics. Konrad-Zuse-Zentrum Berlin, Preprint SC 98-04 (1998)

  14. P. Deuflhard, J. Hermans, B. Leimkuhler, A. Mark, S.Reich, B. Skeel (eds): Computational Molecular Dynamics: Challenges, Methods, Ideas. Lecture N otes in Computational Science and Engineering, Vol. 4, Springer-Verlag (1998).

  15. P. Deuflhard, M. Dellnitz, O. Junge, Ch. Schütte: Computation of Essential Molecular Dynamics by Subdivision Techniques. In: P. Deuflhard, J. Hermans, B. Leimkuhler, A.E. Mark, S. Reich, and R.D. Skeel (eds.), Computational Molecular Dynamics: Challenges, Methods, Ideas. Lecture Notes in Computational Science and Engineering, Vol. 4, Springer-Verlag, pp. 98-115 (1998).