Listing in reversed chronological order.
Scientific Journals and Refereed Proceedings:
S. Pilari, C. Preusse and W. Huisinga
Gestational Influences on the Pharmacokinetics of Gestagenic Drugs: A Combined In Silico, In Vitro and In Vivo Analysis
Submitted (2010).
S. Pilari and W. Huisinga
Lumping of Physiologically Based Pharmacokinetic Models and a Mechanistic Derivation of Classical Compartmental Models
J. Pharmacokinet. Pharmacodyn. 37 (2010), pp 365-405.
Journal
B.-F. Krippendorfft, D. Oyarzun and W. Huisinga
Integrating cell-level kinetics into systemic pharmacokinetic models for optimizing biophysical properties of therapeutic proteins
Submitted (2009).
S. Menz, R. Matthiesen, C. Dehmel, C. Barembruch, R. Hengge and W. Huisinga
Precise Switching of Flagellar Gene Expression in Escherichia Coli by the FlgM-FliA Regulatory Network
Submitted (2009).
A. Y. Weiße, R. Middleton and W. Huisinga
Quantifying uncertainty, variability and likelihood for ordinary differential equation models
BMC Systems Biology, 4 (2010).
Journal (open access)
A. Y. Weiße, and W. Huisinga
Error-Controlled Global Sensitivity Analysis of Ordinary Differential Equations
Submitted (2009).
M. von Kleist, S. Menz and W. Huisinga
Drug-Class Specific Impact of Antivirals on the Reproductive Capacity of HIV
PLoS Comput Biol 5 (2010): e1000720.
Journal (open access).
B.-F. Krippendorfft, D. Oyarzun and W. Huisinga
Ligand accumulation counteracts therapeutic inhibition of receptor systems
Proceedings of Foundations of Systems Biology in Engeneering, FOSBE (2009), pp. 173-176.
PDF-Preprint
B.-F. Krippendorff, K. Küster, C. Kloft, W. Huisinga
Nonlinear Pharmacokinetics of Therapeutic Proteins Resulting from Receptor Mediated Endocytosis
J. Pharmacokinet. Pharmacodyn. Vol. 36 (2009), pp 239-260.
Journal (open access), Suppl Material (zip)
B.-F. Krippendorff, R. Neuhaus, P. Lienau, A. Reichel, W. Huisinga
Mechanism-based Inhibition: Deriving KI and kinact directly from Time-Dependent IC50 Values
J Biomol Screen. 14 (2009), pp. 913-923.
Journal PDF-Preprint Suppl Material
M. von Kleist, and W. Huisinga
Pharmacokinetic-Pharmacodynamic relationship of NRTIs and its connection to viral escape: An example based on Zidovudine
Eur J Pharm Sci. 36 (2009), pp. 532-543.
Journal PDF-Preprint
P. Deuflhard, W. Huisinga, T. Jahnke, and M. Wulkow
Adaptive discrete Galerkin methods applied to the chemical master equation
SIAM J. Sci. Comput. 30 (2008), pp. 2990-3011.
Journal PDF-Preprint
T. Jahnke, and W. Huisinga
A dynamical low-rank approach to the chemical master equation
Bull. Math. Biol. 70 (2008), pp. 2283-2302.
Journal PDF-Preprint
M. von Kleist and W. Huisinga
Physiologically based pharmacokinetic modelling: A sub-compartmentalized model of tissue distribution
J. Pharmacokinet. Pharmacodyn. 34 (2007), pp 789-806.
Journal PDF-Preprint
S. Rüdiger, J.W. Shuai, W. Huisinga, Ch. Nagaiah, G. Warnecke, I. Parker, M. Falcke
Hybrid stochastic and deterministic simulations of calcium blips
Biophys. J. 93 (2007), pp. 1847-1857.
Journal PDF-Preprint
M. von Kleist, C. Kloft and W. Huisinga
Combining Systems Biology with physiologically-based pharmacokinetics to support the understanding of drug effects
Proceedings of Foundations of Systems Biology in Engeneering FOSBE (2007), pp. 231-236.
PDF-Preprint
T. Jahnke, and W. Huisinga
Solving the chemical master equation for monomolecular reaction systems analytically
J. Math. Biol. 54 (2007) pp. 1-26.
Journal PDF-Preprint
B.-F. Krippendorff, P. Lienau, A. Reichel, W. Huisinga
Optimizing Classification of Drug-Drug Interaction Potential for CYP450 Isoenzyme Inhibition Assays in Early Drug Discovery
J Biomol Screen. Vol. 12 (2007), pp. 92-99.
Journal PDF-Preprint
R. Telgmann, M. von Kleist, and W. Huisinga
Software Supported Modelling in Pharmacokinetics
In 'Computational Life Sciences II', Lecture Notes in Computer Science 4216 (2006), M.R. Berthold, R. Glen, and I. Fischer (Eds.), Springer, pp. 216–225.
Journal PDF-Preprint
A. Weiße, I. Horenko, and W. Huisinga
Adaptive Approach for Modelling Variability in Pharmacokinetics
In 'Computational Life Sciences II’, Lecture Notes in Computer Science 4216 (2006), M.R. Berthold, R. Glen, and I. Fischer (Eds.), Springer, pp. 194-204
Journal PDF-Preprint
W. Huisinga, R. Telgmann, and M. Wulkow
The virtual lab approach to pharmacokinetic: Design principles and concepts
Drug Discov Today 11(2006) pp. 800-805
Journal PDF-Preprint
A. Alfonsi, E. Cances, G. Turinici, B. Di Ventura and W. Huisinga
Adaptive simulation of hybrid stochastic and deterministic models for biochemical systems
ESAIM: Proc. 14 (2005), pp. 1-13.
Journal PDF-Preprint
W. Huisinga and B. Schmidt
Metastability and Dominant Eigenvalues of Transfer Operators
In 'Advances in Algorithms for Macromolecular Simulation', Lecture Notes in Computational Science and Engineering 49, C. Chipot, R. Elber, A. Laaksonen, B. Leimkuhler, A. Mark, T. Schlick, C. Schütte, and R. Skeel (Eds.) Springer (2005).
Book PDF-Preprint
I. Horenko, S. Lorenz, C. Schütte and W. Huisinga
Adaptive Approach for Non-Linear Sensitivity Analysis of Reaction Kinetics
J. Comp. Chem. 26 (2005), pp. 941-948.
Journal PDF-Preprint
K. Abraham, H. Mielke, W. Huisinga and U. Gundert-Remy
Elevated Internal Exposure of Children in Simulated Acute Inhalation of Volatile Organic Compounds: Dependency on Properties of the Chemical,
Basic & Clinical Pharmacology & Toxicology 96 (2005), pp. 242–243.
Journal PDF-Preprint
K. Abraham, H. Mielke, W. Huisinga and U. Gundert-Remy
Elevated Internal Exposure of Children in Simulated Acute Inhalation of Volatile Organic Compounds: Effects of Concentration and Duration
Arch Toxicol 79 (2005) pp. 63-73
Journal PDF-Preprint
Ch. Schütte, J. Walter, C. Hartmann and W. Huisinga
An Averaging Principle for Fast Degrees of Freedom Exhibiting Long-Term Correlations
SIAM Multiscale Modeling and Simulation 2 (2004) pp. 501-526
Journal PDF-Preprint
W. Huisinga, S. Meyn and Ch. Schütte
Phase Transitions & Metastability in Markovian and Molecular Systems
Ann. Appl. Probab. 14 (2004), 419-458.
Journal PDF-Preprint
Ch. Schütte, W. Huisinga and S. Meyn
Metastability of Diffusion Processes
Proceeding of the IUTAM Symposium on Nonlinear Stochastic Dynamics (August 26 - August 30, 2002, Illinois/USA), 2003
Book PDF-Preprint
W. Huisinga, Ch. Schütte and A. M. Stuart
Extracting Macroscopic Stochastic Dynamics: Model Problems
Comm. Pure Appl. Math. 56 (2003),234-269
Journal PDF-Peprint
Ch. Schütte and W. Huisinga
Biomolecular Conformations can be Identified as Metastable Sets of Molecular Dynamics
in Handbook of Numerical Analysis edited by P. G. Ciarlet, Special Volume: Computational Chemistry (Vol X) , guest editor C. Le Bris (2003)
Book PDF-Preprint
Ch. Schütte, W. Huisinga and P. Deuflhard
Transfer Operator Approach to Conformational Dynamics in Biomolecular Systems
in "Ergodic Theory, Analysis, and Efficient Simulation of Dynamical Systems" edited by B. Fiedler (2001) pp.191-223
Book PDF-Preprint
Ch. Schütte and W. Huisinga
Biomolecular Conformations as Metastable Sets of Markov Chains
Proceedings of the 38th. Annual Allerton Conference on Communication, Control, and Computing, Oct. 4-6, Allerton House, Monticello, Illinoins/USA (2000) pp.1106-1115
Journal PDF-Preprint
T. Galliat, Wilhelm Huisinga and P. Deuflhard
Self-Organizing Maps Combined with Eigenmode Analysis for Automated Cluster Identification
in "Neural Computation" edited by H. Bothe and R. Rojas, ICSC Academic Press (2000) pp.227-232.
PDF-Preprint
Ch. Schütte and W. Huisinga
On Conformational Dynamics induced by Langevin Processes
in "International Conference on Differential Equations (EquaDiff 99)", edited by B. Fiedler K. Gröger and J. Sprekels, Vol.2 (2000) pp.1247-1262
Book PDF-Preprint
P. Deuflhard, W. Huisinga, A. Fischer and Ch. Schütte
Identification of Almost Invariant Aggregates in Reversible Nearly Uncoupled Markov Chains
Lin. Alg. Appl. 315 (2000) pp. 39-59
Journal PDF-Preprint
W. Huisinga, Ch. Best, R. Roitzsch, Ch. Schütte and F. Cordes
From Simulation Data to Conformational Ensembles: Structure and Dynamics based Methods
J. Comp. Chem. , Vol.20 (1999) pp.1760-1774
Journal PDF-Preprint
Ch. Schütte, A. Fischer, W. Huisinga and P. Deuflhard
A Direct Approach to Conformational Dynamics based on Hybrid Monte Carlo
J. Comp. Phys. 151 (1999) pp. 146-168
Journal PDF-Preprint
W. Huisinga, L. Pesce, R. Kosloff and P. Saalfrank
Faber and Newton Polynomial Integrators for Open-System Density Matrix Propagation
J. Chem. Phys., Vol.110 (1999) pp.5538-5547.
Journal PDF-Preprint
Others:
W. Huisinga
Using math to optimize medication
NUI Maynooth Research Magazine, Vol. 1, January 2009.
Research Magazine
W. Huisinga
Computational Physiology
European Communications in Mathematical and Theoretical Biology, No. 8, January 2006, pp. 12-13
Journal
Preprints:
W. Huisinga; 2000
The Esssential Spectral Radius and Asymptotic Properties of Transfer Operators
PDF-Preprint
Ch. Schütte, A. Fischer, W. Huisinga and P. Deuflhard
Hybrid Monte Carlo Method for Essential Molecular Dynamics
ZIB Preprint, 1998.
P. Nettesheim, W. Huisinga and Ch. Schütte
Chebyshev Approximation for Wavepacket Dynamics: better than expected
ZIB preprint, 1996
PDF-Preprint
Theses:
W. Huisinga
Metastability of Markovian systems: A transfer operator approach in application to molecular dynamics
PhD thesis in mathematics, Freie Universität Berlin, 2001
PDF Preprint
W. Huisinga
Faber-, Newton- und Krylov-Approximation zur Integration grosser Differentialgleichungssysteme aus der Quantenmechanik
Diploma thesis in mathematics at Free University Berlin, 1997
Awarded by the Deutsche Mathematiker Vereinigung (1998).
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