1. M. Weber, S. Kube, L. Walter, P. Deuflhard: Stable Computation of Probability Densities of Metastable Dynamical Systems. SIAM J. Multiscale Model. Simul. 6(2), pp. 396-416 (2007).

  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: 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).

  5. 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), Springer Verlag Vol. 24, pp. 260-285, (2002).

  6. T. Galliat, P. Deuflhard: Adaptive hierarchical cluster analysis by Self-Organizing Box Maps. Konrad-Zuse-Zentrum Berlin. ZIB-Report 00-13 (April 2000).

  7. 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. In: H. Bothe, R. Rojas (eds.), Neural Computation, ICSC Academic Press, pp. 227-232 (2000).

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

  9. Ch. Schütte, W. Huisinga, P. Deuflhard: Transfer Operator Approach to Conformational Dynamics in Biomolecular Systems. In: B. Fieder (ed.): Ergodic Theory, Analysis, and Efficient Simulation of Dynamical Systems. Springer, pp. 191-223 (2001).

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

  12. P. Deuflhard, W. Huisinga, A. Fischer, Ch. Schütte: Identification of Almost Invariant Aggregates in Reversible Nearly Uncoupled Markov Chains. Lin. Alg. Appl. 315, pp. 39-59 (2000).