Publikationen

C. Gomez, N. Hartung
Stochastic and Deterministic Models for the Metastatic Emission Process: Formalisms and Crosslinks

In: von Stechow L. (eds) Cancer Systems Biology. Methods Mol. Biol. (2018) 1711:193-224
Journal


J. Knöchel, C. Kloft, W. Huisinga
Understanding and reducing complex systems pharmacology models based on a novel input-response index

J Pharmacokinet Pharmacodyn (2018) 45: 139.
Journal, Suppl Material (Matlab code)

N. Hartung, U. Benary, J. Wolf, B. Kofahl
Paracrine and autocrine regulation of gene expression by Wnt-inhibitor Dickkopf in wild-type and mutant hepatocytes

BMC Systems Biology (2017) 11:98e017608074
Journal

L. Ehmann, M. Zoller, I. K. Minichmayr, C. Scharf, B. Maier, M. V. Schmitt, N. Hartung, W. Huisinga, M. Vogeser, L. Frey, J. Zander, C. Kloft
Role of renal function in risk assessment of target non-attainment after standard dosing of meropenem in critically ill patients: A prospective observational study
Critical Care (2017) 21:263
Journal

J. Melin, Z.P. Parra-Guillen, N. Hartung, W. Huisinga, R.J. Ross, M.J. Whitaker, C. Kloft
Predicting Cortisol Exposure from Paediatric Hydrocortisone Formulation Using a Semi-Mechanistic Pharmacokinetic Model Established in Healthy Adults
Clin Pharmacokinet. (2017) doi: 10.1007/s40262-017-0575-8
Journal

A. Henrich A, M. Jörger, S. Kraff, U. Jaehde U, W. Huisinga, C. Kloft, Z.P. Parra-Guillen
Semimechanistic Bone Marrow Exhaustion Pharmacokinetic/Pharmacodynamic Model for Chemotherapy-Induced Cumulative Neutropenia

J Pharmacol Exp Ther (2017) 362(2):347-358
Journal

S. Fuhrmann, C. Kloft, W. Huisinga
Impact of altered endogenous IgG on unspecific mAb clearance 
J Pharmacokinet Pharmacodyn 44 (2017), pp. 351-374
Journal, Suppl Material (Matlab code)

S. Wicha, W. Huisinga, C. Kloft
Translational Pharmacometric Evaluation of Typical Antibiotic Broad-Spectrum Combination Therapies Against Staphylococcus Aureus Exploiting In Vitro Information

CPT Pharmacometrics Syst Pharmacol (2017) 6(8):512-522
Journal

K. Weisser, S. Stübler, W. Matheis, W. Huisinga
Towards toxicokinetic modelling of aluminium exposure from adjuvants in medicinal products

Regul Toxicol Pharmacol (2017) 88:310-321
Journal

H. Edlund, C. Steenholdt, M.A. Ainsworth, E. Goebgen, J. Brynskov, O.Ø. Thomsen, W. Huisinga, C. Kloft
Magnitude of Increased Infliximab Clearance Imposed by Anti-infliximab Antibodies in Crohn's Disease Is Determined by Their Concentration

AAPS J (2017) 19(1):223-233
Journal

M. Smith, S. Moodie, R. Bizzotto, E. Blaudez, E. Borella, L. Carrara, P. Chan, M. Chenel, E. Comets, R. Gieschke, K. Harling, L. Harnisch, N. Hartung, A. Hooker, M. Karlsson, R. Kaye, C. Kloft, N. Kokash, M. Lavielle, G. Lestini, P. Magni, A. Mari, F. Mentré, C. Muselle, R. Nordgren, H. B. Nyberg, Z. Parra-Guillen, L. Pasotti, N. Kristensen, M. L. Sardu, G. Smith, M. Swat, N. Terranova, G. Yngman, F. Yvon, N. Holford
Model Description Language (MDL): A Standard for Modelling and Simulation
CPT: Pharmacometrics & Systems Pharmacology (2017) doi:10.1002/psp4.12222
Journal

N. Hartung, C.T. Huynh, C. Gaudy-Marqueste, A. Flavian, N. Malissen, M.A. Richard-Lallemand, F. Hubert, J.-J. Grob
Study of metastatic kinetics in metastatic melanoma treated with B-RAF inhibitors: Introducing mathematical modelling of kinetics into the therapeutic decision

PLoS One (2017) 12(5):e017608074
Journal

W. Huisinga, S. Fuhrmann, L. Fronton, B.F. Krippendorff 
Target driven pharmacokinetics of biopharmaceutics   
in Therapeutic Proteins – ADME and translational PK/PD in discovery and development,
H. Zhou and F.-P. Theil (Eds.), Wiley (2015): ISBN 978-1-118-89864-2 
Book

S. Gopalakrishnan, H. Montazeri, S. Menz, N. Beerenwinkel, W. Huisinga
Estimating HIV-1 Fitness Characteristics from Cross-sectional Genotype Data  
PLoS Computational Biology, Vol. 10  (2014), e1003886, pp. 1-14
Journal, Suppl Material (R and Matlab code)


N. Makarava, S. Menz, M. Theves, W. Huisinga, C. Beta, M. Holschneider
Quantifying the degree of persistence in random amoeboid motion based on the Hurst exponent of fractional Brownian motion 
Phys Rev E 90 (2014), 042703
Journal


L. Fronton, S. Pilari, W. Huisinga 
Monoclonal antibody disposition: a simplified PBPK model and its implications for the derivation and interpretation of classical compartment models  
J. Pharmacokinet. Pharmacodyn. 41 (2014), pp 87-107
Journal, Suppl Material (Matlab code)


O. Kuß, A. Hoyer,  A. Solms
Meta-analysis for diagnostic accuracy studies: A new statistical model using beta-binomial distributions and bivariate copulas
Statistics in Medicine 33 (2014), pp. 17-30
Journal


S. Menz, J.C. Latorre, C. Schütte, W. Huisinga 
Hybrid stochastic-deterministic solution of the chemical master equation  
SIAM Multiscale Modelling and Simulation, 10 (2012) pp. 1232-1262
Journal


W. Huisinga, A. Solms, L. Fronton, S. Pilari
Modeling inter-individual variability in physiologically-based pharmacokinetics and its link to mechanistic covariate modeling  
CPT: Pharmacometrics & Systems Pharmacology, 1 (2012), e4 
Journal, Suppl Material (Data and Matlab code)

B.-F. Krippendorff,  D. A. Oyarzún, W. Huisinga  
Predicting the F(ab)-mediated effect of monoclonal antibodies in vivo by combining cell-level kinetic and pharmacokinetic modelling 
J. Pharmacokinet. Pharmacodyn. 39 (2012), pp 125-139
Journal


S. Unverzagt,  M.-T. Machemer, A. Solms, H. Thiele, D. Burkhoff, M. Seyfarth, A. de Waha, E. Magnus Ohman, Michael Buerke, Johannes Haerting, Karl Werdan, Roland Prondzinsky
Intra-aortic balloon pump counterpulsation (IABP) for myocardial infarction complicated by cardiogenic shock
Cochrane Database of Systematic Reviews 6 (2011), CD007398
Journal


M. von Kleist, S. Menz, H. Stocker, K. Arasteh, C. Schütte, W. Huisinga
HIV Quasispecies Dynamics during Pro-Active Treatment Switching: Impact on Multi-Drug Resistance and Resistance Archiving in Latent Reservoirs
PLoS ONE, Vol. 6 (2011), e18204
Journal


A. Y. Weiße,  W. Huisinga 
Error-Controlled Global Sensitivity Analysis of Ordinary Differential Equations  
J. Comput. Phys. 230 (2011), pp 6824-6842 
Journal, Suppl Material (zip)


C. Böckmann, A. Kammanee, H.-A. Braunß
Logarithmic convergence rate of Levenberg_Marquardt method with application to an inverse potential problem
Journal of Inverse and III-Posed Problems, Vol. 19 (2011), pp. 345-367 
Journal 


S. Pilari,  C. Preusse, W. Huisinga
Gestational Influences on the Pharmacokinetics of Gestagenic Drugs: A Combined In Silico, In Vitro and In Vivo Analysis
Eur J Pharm Sci., 42 (2011), pp. 318-331
Journal 


W. Huisinga,  B.-F. Krippendorff
Eine gute Dosis Mathematik - Modellbasierte Arzneimittelentwicklung am Beispiel therapeutischer Proteine
Systembiologie.de, Ausg. 02, December 2010
Journal


S. Pilari, 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


A. Y. Weiße,  R. Middleton,  W. Huisinga
Quantifying uncertainty, variability and likelihood for ordinary differential equation models 
BMC Systems Biology, 4 (2010) 
Journal


M. von Kleist, S. Menz,  W. Huisinga
Drug-Class Specific Impact of Antivirals on the Reproductive Capacity of HIV 
PLoS Comput Biol 5 (2010): e1000720 
Journal


N. Véron, H. Bauer, A. Y. Weiße, G. Lüder, M. Werber, and B. G. Herrmann
Retention of gene products in syncytial spermatids promotes non-Mendelian inheritance as revealed by the t-complex-responder
Genes & Development Vol 23 (2009), pp 2705-10
Journal


B.-F. Krippendorff, 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.
Journal


B.-F. Krippendorff, K. Küster, C. Kloft, W. Huisinga
Nonlinear Pharmacokinetics of Therapeutic Proteins Resulting from Receptor Mediated Endocytosis

J. Pharmacokinet. Pharmacodyn, 36 (2009), pp 239-260
Journal, Suppl Material


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, 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


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


T. Jahnke, and W. Huisinga
A dynamical low-rank approach to the chemical master equation
Bull. Math. Biol.
70 (2008), pp. 2283-2302
Journal


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


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


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


T. Jahnke,  W. Huisinga
Solving the chemical master equation for monomolecular reaction systems analytically 
J. Math. Biol. 54 (2007) pp. 1-26
Journal     


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     


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


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


W. Huisinga, R. Telgmann,  M. Wulkow
The virtual lab approach to pharmacokinetic: Design principles and concepts 
Drug Discov Today 11(2006) pp. 800-805 
Journal


A. Alfonsi, E. Cances, G. Turinici, B. Di Ventura, W. Huisinga
Adaptive  simulation of hybrid stochastic and deterministic models for biochemical systems 
ESAIM: Proc. 14 (2005), pp. 1-13
Journal     


W. Huisinga,  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     

I. Horenko, S. Lorenz, C. Schütte,  W. Huisinga 
Adaptive Approach for Non-Linear Sensitivity Analysis of Reaction Kinetics 
J. Comp. Chem. 26 (2005), pp. 941-948
Journal     


K. Abraham, H. Mielke, W. Huisinga, 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     


K. Abraham, H. Mielke, W. Huisinga, 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


Ch. Schütte, J. Walter, C. Hartmann, 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    


W. Huisinga, S. Meyn,  Ch. Schütte
Phase Transitions & Metastability in Markovian and Molecular Systems   
Ann. Appl. Probab. 14 (2004), 419-458  
Journal     

Ch. Schütte, W. Huisinga, S. Meyn 
Metastability of Diffusion Processes 
Proceeding of the IUTAM Symposium on Nonlinear Stochastic Dynamics (August 26 - August 30, 2002, Illinois/USA), 2003
Book    

W. Huisinga, Ch. Schütte, A. M. Stuart  
Extracting Macroscopic Stochastic Dynamics: Model Problems  
Comm. Pure Appl. Math. 56 (2003),234-269
Journal     


Ch. Schütte, 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     


Ch. Schütte, W. Huisinga, 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     


Ch. Schütte, 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    

T. Galliat, Wilhelm Huisinga, 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  
Preprint


Ch. Schütte, 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     


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

W. Huisinga, Ch. Best, R. Roitzsch, Ch. Schütte,  F. Cordes
From Simulation Data to Conformational Ensembles: Structure and Dynamics based Methods 
J. Comp. Chem. , Vol.20 (1999) pp.1760-1774 
Journal     


Ch. Schütte, A. Fischer, W. Huisinga, P. Deuflhard 
A Direct Approach to Conformational Dynamics based on Hybrid Monte Carlo 
J. Comp. Phys. 151 (1999) pp. 146-168 
Journal     


W. Huisinga, L. Pesce, R. Kosloff, P. Saalfrank 
Faber and Newton Polynomial Integrators for Open-System Density Matrix Propagation 
J. Chem. Phys., Vol.110 (1999) pp.5538-5547 
Journal     

 

Others:

W. Huisinga
Using math to optimize medication 
NUI Maynooth Research Magazine, Vol. 1, January 2009 
Journal


W. Huisinga 
Computational Physiology 
European Communications in Mathematical and Theoretical Biology, No. 8, January 2006, pp. 12-13
Journal