Selected publications and reference material

Bayer scientists have many years of experience in computational systems biology. Selected references for the different product areas and services are listed below.

2017  - 2016  - 2015  - 2014  - 2013 - 2012 - 2011 - 2010 - 2009 - 2008 - 2007 - 2006 - 2005 - 2004 - 2003 


2017 -  top of page

Dallmann A, Ince I, Solodenko J, Meyer M, Willmann S, Eissing T, Hempel G (2017) Physiologically Based Pharmacokinetic Modeling of Renally Cleared Drugs in Pregnant Women [Epub ahead of print] ] doi:10.1007/s40262-017-0538-0

Dallmann A, Ince I, Meyer M, Willmann S, Eissing T, Hempel G (2017) Gestation-Specific Changes in the Anatomy and Physiology of Healthy Pregnant Women: An Extended Repository of Model Parameters for Physiologically Based Pharmacokinetic Modeling in Pregnancy. Clin Pharmacokinet [Epub ahead of print] ] doi:10.1007/s40262-017-0539-z

Krauss M, Hofmann U, Schafmayer C, Igel S, Schlender J, Mueller C, Brosch M, Schoenfels W, Erhart W, Schuppert A, Block M, Schaeffeler E, Boehmer G, Goerlitz L, Hoecker J, Lippert J, Kerb R, Hampe J, Kuepfer L, Schwab M (2017) Translational learning from clinical studies predicts drug pharmacokinetics across patient populations. npj Systems Biology and Applications 3(1): p. 11

Moj D, Hanke N, Britz H, Frechen S, Kanacher T, Wendl T, Haefeli WE, Lehr T (2017) Clarithromycin, Midazolam, and Digoxin: Application of PBPK Modeling to Gain New Insights into Drug–Drug Interactions and Co-medication Regimens. The AAPS Journal. 19(1): p. 298-312

2016 -  top of page

Cordes H, Thiel C, Aschmann HE, Baier V, Blank LM, Kuepfer L (2016) A Physiologically Based Pharmacokinetic Model of Isoniazid and Its Application in Individualizing Tuberculosis Chemotherapy. Antimicrob Agents Chemother 60: 6134-6145

Radke C, Horn D, Lanckohr C, Ellger B, Meyer M, Eissing T, Hempel, G (2016) Development of a Physiologically Based Pharmacokinetic Modelling Approach to Predict the Pharmacokinetics of Vancomycin in Critically Ill Septic Patients. Clin Pharmacokinet. p. 1-21

Schlender JF, Golden AG, Samant TS, Lagishetty CV, Schmidt S (2016) The Personalization of Drug Therapy for Elderly Patients. In Developing Drug Products in an Aging Society: From Concept to Prescribing, Stegemann S (ed), pp 589-611. Cham: Springer International Publishing

Wadehn F, Schaller S, Eissing T, Krauss M, Küpfer L (2016) A multiscale, model-based analysis of the multi-tissue interplay underlying blood glucose regulation in type I diabetes. In Engineering in Medicine and Biology Society (EMBC), 2016 IEEE 38th Annual International Conference of the, pp 1417-1421

Workgroup EM, Marshall SF, Burghaus R, Cosson V, Cheung SY, Chenel M, DellaPasqua O, Frey N, Hamren B, Harnisch L, Ivanow F, Kerbusch T, Lippert J, Milligan PA, Rohou S, Staab A, Steimer JL, Tornoe C, Visser SA (2016) Good Practices in Model-Informed Drug Discovery and Development: Practice, Application, and Documentation. CPT Pharmacometrics Syst Pharmacol 5: 93-122

L. Kuepfer, C. Niederalt, T. Wendl, J. F. Schlender, S. Willmann, J. Lippert, M. Block, T. Eissing, D. Teutonico, Applied Concepts in PBPK modeling: How to build a PBPK/PD model. CPT Pharmacometrics Syst. Pharmacol,. 2016.

A. N. Edginton, E. I. Zimmerman, A. Vasilyeva, S. D. Baker, J. C. Panetta, Sorafenib metabolism, transport, and enterohepatic recycling: physiologically based modeling and simulation in mice. Cancer Chemother. Pharmacol., 2016, 77(5): 1039-1052.

J. F. Schlender, M. Meyer, K. Thelen, M. Krauss, S. Willmann, T. Eissing, U. Jaehde, Development of a Whole-Body Physiologically Based Pharmacokinetic Approach to Assess the Pharmacokinetics of Drugs in Elderly Individuals. Clin Pharmacokinet,  (Jun 28, 2016).

Julio Lahoz-Beneytez, Marjet Elemans, Yan Zhang, Raya Ahmed, Arafa Salam, Michael Block, Christoph Niederalt, Becca Asquith and Derek Macallan
Human neutrophil kinetics: modeling of stable isotope labeling data supports short blood neutrophil half-lives
Blood (2016) (first edition)

Ghallab A, Cellière G, Henkel SG, Driesch D, Hoehme S, Hofmann U, Zellmer S, Godoy P, Sachinidis A, Blaszkewicz M, Reif R, Marchan R, Kuepfer L, Häussinger D, Drasdo D, Gebhardt R, Hengstler JG.
Model-guided identification of a therapeutic strategy to reduce hyperammonemia in liver diseases.
J Hepatol. 2016 Apr;64(4):860-71

Kuepfer L, Schuppert A.
Systems Medicine in Pharmaceutical Research and Development.
Methods Mol Biol. 2016;1386:87-104

Somani AA, Thelen K, Zheng S, Trame MN, Coboeken K, Meyer M, Schnizler K, Ince I, Willmann S, Schmidt S.
Evaluation of changes in oral drug absorption in preterm and term neonates for Biopharmaceutics Classification System (BCS) class I and II compounds.
Br J Clin Pharmacol. 2016 Jan;81(1):137-47. doi: 10.1111/bcp.12752. Epub 2015 Oct 30.


2015 -  top of page

Block, M.
Physiologically based pharmacokinetic and pharmacodynamic modeling in cancer drug development: status, potential and gaps
Expert Opinion, Informa healthcare, May 2015, Vol. 11, No. 5 , Pages 743-756.

Thiel C, Schneckener S, Krauss M, Ghallab A, Hofmann U, Kanacher T, Zellmer S, Gebhardt R, Hengstler JG, Kuepfer L.
A systematic evaluation of the use of physiologically based pharmacokinetic modeling for cross-species extrapolation.
J Pharm Sci. 2015 Jan;104(1):191-206. doi: 10.1002/jps.24214. Epub 2014 Nov 12.

Schwen LO, Schenk A, Kreutz C, Timmer J, Bartolomé Rodríguez MM, Kuepfer L, Preusser T.
Representative Sinusoids for Hepatic Four-Scale Pharmacokinetics Simulations.
PLoS One. 2015 Jul 29;10(7):e0133653. doi: 10.1371/journal.pone.0133653. eCollection 2015.

Claassen K, Thelen K, Coboeken K, Gaub T, Lippert J, Allegaert K, Willmann S.
Development of a Physiologically-Based Pharmacokinetic Model for Preterm Neonates: Evaluation with In Vivo Data.
Curr Pharm Des. 2015;21(39):5688-98.

Lippert J, Burghaus R, Kuepfer L, Ploeger B, Schaller S, Schmitt W, Willmann S.
Modeling and Simulation of In Vivo Drug Effects.
Handb Exp Pharmacol. 2015 Nov 18. [Epub ahead of print]

Krauss M, Tappe K, Schuppert A, Kuepfer L, Goerlitz L
Bayesian Population Physiologically-Based Pharmacokinetic (PBPK) Approach for a Physiologically Realistic Characterization of Interindividual Variability in Clinically Relevant Populations
PLoS ONE 10(10):e0139423.

Schaller S, Lippert J, Schaupp L, Pieber T, Schuppert A, Eissing T
Robust PBPK/PD based Model Predictive Control of Blood Glucose.
IEEE Trans Biomed Eng. 2015 Nov 2. [Epub ahead of print]

Siegmund HU, Burghaus, R, Kubitza, D, Coboeken, K
Contribution of rivaroxaban to the international normalized ratio when switching to warfarin for anticoagulation as determined by simulation studies
Br J Clin Pharmacol. 2015 Jun;79(6):959-66d

Lahoz-Beneytez, J., Schnizler, K., Eissing, T.
A pharma perspective on the systems medicine and pharmacology of inflammation.
Math Biosci. 2015 Feb;260:2-5. doi: 10.1016/j.mbs.2014.07.006. Epub 2014 Jul 21.


2014 -  top of page

Stader F, Wuerthwein G, Groll AH, Vehreschild J, Cornely OA, Hempel G.
Physiology-Based Pharmacokinetics of Caspofungin for Adults and Paediatrics.
Pharm Res. 2014 Dec 19. [Epub ahead of print]

Burghaus, R., Coboeken, K., Gaub, T., Niederalt, C., Sensse, A., Siegmund, H.-U., Weiss, W., Mueck, W., Tanigawa, T., Lippert, J.
Computational investigation of potential dosing schedules for a switch of medication from warfarin to rivaroxaban—an oral, direct Factor Xa inhibitor
Frontiers Physiology, Nov 07, 2014

Thiel, C., Schneckener, S, Krauss, M, Ghallab, A, Hofmann, U, Kanacher, T, Zellmer, S, Gebhardt, R, Hengstler, J, Kuepfer, L
A Systematic Evaluation of the Use of Physiologically Based  Pharmacokinetic Modeling for Cross-Species Extrapolation
J Pharm Sci. 2014 Nov 12

Dickschen, K., Eissing, T., Mürdter, T., Schwab, M., Willmann, S., Hempel, G.
Concomitant use of tamoxifen and endoxifen in postmenopausal early breast cancer: prediction of plasma levels by physiologically-based pharmacokinetic modeling.
Springerplus. 2014; 3: 285.

Kuepfer, L.
Stoichiometric modelling of microbial metabolism.
Methods Mol Biol. 2014;1191:3-18

Kuepfer, L., Kerb, R., Henney, A.M.
Clinical translation in the virtual liver network.
CPT Pharmacometrics Syst Pharmacol. 2014 Jul 30;3:e127

Wolkenhauer, O., Auffray, C., Brass, O., Clairambault, J., Deutsch, A., Drasdo, D., Gervasio, F., Preziosi, L., Maini, P., Marciniak-Czochra, A., Kossow, C., Kuepfer, L., Rateitschak, K., Ramis-Conde, I., Ribba, B., Schuppert, A., Smallwood, R., Stamatakos, G., Winter, F., Byrne, H.
Enabling multiscale modelling in systems medicine.
Genome Med. 2014 Mar 21;6(3):21

Schwen, L.O., Krauss, M., Niederalt, C., Gremse, F., Kiessling, F., Schenk, A., Preusser, T., Kuepfer, L.
Spatio-temporal simulation of first pass drug perfusion in the liver.
PLoS Comput Biol. 2014 Mar 13;10(3):e1003499


2013  -  top of page

Schaller S, Willmann S, Lippert J, Schaupp L, Pieber TR, Schuppert A, Eissing T.
A Generic Integrated Physiologically based Whole-body Model of the Glucose-Insulin-Glucagon Regulatory System.
CPT: Pharmacometrics & Systems Pharmacology (2013) 2, e65; doi:10.1038/psp.2013.40

Willmann S, Becker C, Burghaus R, Coboeken K, Edginton A, Lippert J, Siegmund HU, Thelen K, Mück W.
Development of a Paediatric Population-Based Model of the Pharmacokinetics of Rivaroxaban.
Clin Pharmacokinet. 2013 Aug 3. [Epub ahead of print]

Bayer I, Groth P, Schneckener S.
Prediction Errors in Learning Drug Response from Gene Expression Data – Influence of Labeling, Sample Size, and Machine Learning Algorithm.
PLoS ONE 2013; 8(7): e70294. doi:10.1371/journal.pone.0070294

Wagner C, Thelen K, Willmann S, Selen A, Dressman JB.
Utilizing in vitro and PBPK tools to link ADME characteristics to plasma profiles: Case example nifedipine immediate release formulation.
J Pharm Sci 2013, DOI: 10.1002/jps.23611

Stass H, Nagelschmitz J, Willmann S, Delesen H, Gupta A, Baumann S.
Inhalation of a Dry Powder Ciprofloxacin Formulation in Healthy Subjects: A Phase I Study.
Clin Drug Investig 2013; DOI 10.1007/s40261-013-0082-0

Krauss M, Burghaus R, Lippert J, Niemi M, Neuvonen P, Schuppert A, Willmann S, Kuepfer L, Görlitz L.
Using Bayesian-PBPK modeling for assessment of inter-individual variability and subgroup stratification.
In Silico Pharmacology 2013, 1:6 doi:10.1186/2193-9616-1-6

Claassen K, Willmann S, Eissing T, Preusser T, Block M.
A detailed physiologically based model to simulate the pharmacokinetics and hormonal pharmacodynamics of enalapril on the circulating endocrine renin-angiotensin-aldosterone system.
Front. Physio. 2013; doi: 10.3389/fphys.2013.00004

Niederalt C, Wendl T, Kuepfer L, Claassen K, Loosen R, Willmann S, Lippert J, Schultze-Mosgau M, Winkler J, Burghaus R, Bräutigam M, Pietsch H, Lengsfeld P. 
Development of a physiologically based computational kidney model to describe the renal excretion of hydrophilic agents in rats.
Front. Physio. 2013; doi: 10.3389/fphys.2012.00494


2012  -  top of page

Lippert J, Brosch M, von Kampen O, Meyer M, Siegmund HU, Schafmayer C, Becker T, Laffert B, Görlitz L, Schreiber S, Neuvonen PJ, Niemi M, Hampe J, Kuepfer L.
A mechanistic, model-based approach to safety assessment in clinical development.
CPT Pharmacometrics Syst Pharmacol. 2012 Nov 7;1:e13. doi: 10.1038/psp.2012.14.

Krauss M, Schaller S, Borchers S, Findeisen R, Lippert J, Kuepfer L.
Integrating Cellular Metabolism into a Multiscale Whole-Body Model.
PLoS Comput Biol. 2012; 8(10): e1002750. doi:10.1371/journal.pcbi.1002750

Weber O, Willmann S, Bischoff H, Li V, Vakalopoulos A, Lustig K, Hafner FT, Heinig R, Schmeck C, Buehner K.
Prediction of a potentially effective dose in humans for BAY 60-5521, a potent inhibitor of cholesteryl ester transfer protein (CETP) by allometric species scaling and combined pharmacodynamic and physiologically-based pharmacokinetic modelling.
Br J Clin Pharmacol. 2012 Feb;73(2):219-31. doi: 10.1111/j.1365-2125.2011.04064.x.

Willmann S, Thelen K, Lippert J.
Integration of dissolution into physiologically-based pharmacokinetic models III: PK-Sim®.
J Pharm Pharmacol. 2012 Jul;64(7):997-1007.

Eissing T, Lippert J, Willmann S.
Pharmacogenomics of Codeine, Morphine, and Morphine-6-Glucuronide: Model-Based Analysis of the Influence of CYP2D6 Activity, UGT2B7 Activity, Renal Impairment, and CYP3A4 Inhibition.
Mol Diagn Ther. 2012;16(1):43-53.

Dickschen K, Willmann S, Thelen K, Lippert J, Hempel G, Eissing T.
Physiologically Based Pharmacokinetic Modeling of Tamoxifen and its Metabolites in Women of Different CYP2D6 Phenotypes Provides New Insight into the Tamoxifen Mass Balance.
Front Pharmacol. 2012;3:92.

Strougo A, Eissing T, Yassen A, Willmann S, Danhof M, Freijer J.
First dose in children: physiological insights into pharmacokinetic scaling approaches and their implications in paediatric drug development.
J Pharmacokinet Pharmacodyn. 2012; 39(2):195-203.

Meyer M, Schneckener S, Ludewig B, Kuepfer L, Lippert J.
Using expression data for quantification of active processes in physiologically-based pharmacokinetic modeling.
Drug Metab Dispos. 2012; 40(5):892-901.

Holzhütter HG, Drasdo D, Preusser T, Lippert J, Henney AM.
The virtual liver: a multidisciplinary, multilevel challenge for systems biology.
Wiley Interdiscip Rev Syst Biol Med. 2012 Jan 13. doi: 10.1002/wsbm.1158. [Epub ahead of print]

Kuepfer L, Lippert J, Eissing T.
Multiscale mechanistic modeling in pharmaceutical research and development.
Adv Exp Med Biol. 2012;736:543-61.


2011  -  top of page

Thelen K, Coboeken K, Willmann S, Dressman JB, Lippert J.
Evolution of a detailed physiological model to simulate the gastrointestinal transit and absorption process in humans, Part 2: Extension to describe performance of solid dosage forms.
J Pharm Sci. 2011 Nov 28. doi: 10.1002/jps.22825. [Epub ahead of print]

Müller FJ, Schuppert A.
Few inputs can reprogram biological networks.
Nature; 478:E4, doi:10.1038/nature10543

Schneckener S, Arden NS, Schuppert A.
Quantifying stability in gene list ranking across microarray derived clinical biomarkers.

BMC Med Gen 2011, 4:73, doi:10.1186/1755-8794-4-73.

Thelen K, Coboeken, K, Willmann S, Burghaus R, Dressman JB, Lippert J. 
Evolution of a detailed physiological model to simulate the gastrointestinal transit and absorption process in humans, Part 1: Oral solutions.
J Pharm Sci. 2011 Dec;100(12):5324-45. doi: 10.1002/jps.22726. Epub 2011 Oct 12.

Dressman JB, Thelen K, Willmann S.
An update on computational oral absorption simulation.
 Expert Opin Drug Metab Toxicol. 2011 Sep 23. [Epub ahead of print]

Ummanni R, Mundt F, Pospisil H, Venz S, Scharf C, Barett C, Fälth M, Köllermann J, Walther R, Schlomm T, Sauter G, Bokemeyer C, Sültmann H, Schuppert A, Brümmendorf TH, Balabanov S.
Identification of clinically relevant protein targets in prostate cancer with 2D-DIGE coupled mass spectrometry and systems biology network platform.
PLoS One. 2011 Feb 11;6(2):e16833.

Dickmann F, Falkner J, Gunia W, Hampe J, Hausmann M, Herrmann A, Kepper N, Knoch TA, Lauterbach S, Lippert J, Peter K, Schmitt E, Schwardmann U, Solodenko J, Sommerfeld D, Steinke T, Weisbecker A, Sax U.
Solutions for biomedical grid computing—Case studies from the D-Grid project Services@MediGRID.
J Comp Sci, in press, doi:10.1016/j.jocs.2011.06.006  

Kersting G, Willmann S, Würthwein G, Lippert J, Boos J, Hempel G.
Physiologically based pharmacokinetic modelling of high- and low-dose etoposide: from adults to children.
Cancer Chemother Pharmacol. 2011 Jul 26. [Epub ahead of print]

Schuppert A. 
Efficient reengineering of meso-scale topologies for functional networks in biomedical applications.
J Math Ind. 2011; 1:6 doi:10.1186/2190-5983-1-6

Görlitz L, Gao Z, Schmitt W.
Statistical Analysis of Chemical Transformation Kinetics using Markov-Chain Monte-Carlo Methods. 
Environ Sci Technol. 2011; 45(10): 4429-4437, doi: 10.1021/es104218h.

Burghaus R, Coboeken K, Gaub T, Kuepfer L, Sensse A, Siegmund H, Weiss W, Mueck W, Lippert J.  
Evaluation of the Efficacy and Safety of Rivaroxaban Using a Computer Model for Blood Coagulation. 
PLoS ONE 6(4): e17626. doi:10.1371/journal.pone.0017626. 

Eissing T, Kuepfer L, Becker C, Block M, Coboeken K, Gaub T, Goerlitz L, Jaeger J, Loosen R, Ludewig B, Meyer M, Niederalt C, Sevestre M, Siegmund H, Solodenko J, Thelen K, Telle U, Weiss W, Wendl T, Willmann S, Lippert J. 
A computational systems biology software platform for multiscale modeling and simulation: Integrating whole-body physiology, disease biology, and molecular reaction networks.
Front Physio 2:4. doi: 10.3389/fphys.2011.00004. 2011.


2010  -  top of page

Kuepfer L.
Towards whole-body systems physiology.
Mol Syst Biol. 6:409; 2010.

Görlitz L, Loosen R, Mrziglod T.
Topology optimization of artificial neural networks using L1-penalization.
Proceedings of 20. Workshop Computational Intelligence. 2010; pp.  80-87.

Willmann S, Thelen K, Becker C, Dressman JB, Lippert J.
Mechanism-based prediction of particle size-dependent dissolution and absorption: Cilostazol pharmacokinetics in dogs.
Eur J Pharm Biopharm. 2010 Jun 8. [Epub ahead of print]

Mohammed Y, Sax U, Dickmann F, Lippert J, Solodenko J, von Voigt G, Smith M, Rienhoff O.
On transferring the grid technology to the biomedical community.
Stud Health Technol Inform. 2010;159:28-39.

Schneckener S, Görlitz L, Ellinger-Ziegelbauer H, Ahr HJ, Schuppert A.
An elastic network model to identify characteristic stress response genes. 
Comp Biol Chem. 2010; 34(3): 193-202.

Blank LM, Kuepfer L.
Metabolic flux distributions: genetic information, computational predictions, and experimental validation. 
Appl Microbiol Biotechnol. 2010;86(5):1243-55.


2009  -  top of page

Thelen K, Jantratid E, Dressman JB, Lippert J, Willmann S.
Analysis of nifedipine absorption from soft gelatin capsules using PBPK modeling and biorelevant dissolution testing. 
J Pharm Sci. 2009; advance online publication. 

Willmann S, Edginton AN, Coboeken K, Ahr G, Lippert J.
Risk to the Breast-Fed Neonate From Codeine Treatment to the Mother: A Quantitative Mechanistic Modeling Study. 
Clin Pharmacol Ther. 2009; 86(6):634-43. 

Radszuweit M, Block M, Hengstler JG, Schöll E, Drasdo D. 
Comparing the growth kinetics of cell populations in two and three dimensions. 
Phys Rev E Stat Nonlin Soft Matter Phys. 2009 May; 79(5 Pt 1):051907. Epub 2009 May 12.

Willmann S, Edginton AN, Kleine-Besten M, Jantratid E, Thelen K, Dressman JB.
Whole-Body Physiologically-Based Pharmacokinetic Population Modelling of Oral Drug Administration: Inter-Individual Variability of Cimetidine Absorption. 
J Pharm Pharmacol. 2009; 61, 891-899. 

Thelen K, Dressman JB.
Cytochrome P450-mediated metabolism in the human gut wall.
J Pharm Pharmacol. 2009 May;61(5):541-58.

Edginton AN, Ahr G, Willmann S, Stass H.
Defining the Role of Macrophages in Local Moxifloxacin Tissue Concentrations using Biopsy Data and Whole-Body Physiologically Based Pharmacokinetic Modelling.
Clin Pharmacokinet. 2009; 48(3): 181-187.

Becker C, Dressman JB,  Junginger HE, Kopp S, Midha KK, Shah VP, Stavchansky S, Barends DM.
Biowaiver monographs for immediate release solid oral dosage forms: Rifampicin.
J Pharm Sci. 2009 Jan 21. [Epub ahead of print]

Eissing T, Chaves M, Allgöwer F.
Live and let die—A systems biology view on cell death.
Comp Chem Eng. 2009; 33(3): 583-589. 

Willmann S.
Das In-silico-Child. Können Computer-Simulationen klinisch-pharmakokinetische Studien ersetzten?
Pharm Unserer Zeit. 2009; 38(1): 62-67.


2008  -  top of page

Edginton AN, Willmann S.
Physiology-based simulations of a pathological condition: prediction of pharmacokinetics in patients with liver cirrhosis.
Clin Pharmacokinet. 2008; 47(11): 743-752.

Edginton AN, Theil FP, Schmitt W, Willmann S.
Whole body physiologically-based pharmacokinetic models: their use in clinical drug development.

Expert Opin Drug Metab Toxicol. 2008;4(9): 1143-1152.

Loizou G, Spendiff M, Barton HA, Bessems J, Bois FY, d'Yvoire MB, Buist H, Clewell HJ 3rd, Meek B, Gundert-Remy U, Goerlitz G, Schmitt W.
Development of good modelling practice for physiologically based pharmacokinetic models for use in risk assessment: the first steps.
Regul Toxicol Pharmacol. 2008; 50(3):400-11.

Dressman JB, Thelen K, Jantratid E.
Towards Quantitative Prediction of Oral Drug Absorption.
Clin Pharmacokinet. 2008; 47(10): 655-67.

Becker C, Dressman JB, Amidon GL, Junginger HE, Kopp S, Midha KK, Shah VP, Stavchansky S, Barends DM.
Biowaiver monographs for immediate release solid oral dosage forms: Pyrazinamide.
J Pharm Sci. 2008; 97(9): 3709-20.

Granero GE, Longhi MR, Becker C, Junginger HE, Kopp S, Midha KK, Shah VP, Stavchansky S, Dressman JB, Barends DM.
Biowaiver monographs for immediate release solid oral dosage forms: Acetazolamide.
J Pharm Sci. 2008; 97(9): 3691-9.

Becker C, Dressman JB, Amidon GL, Junginger HE, Kopp S, Midha KK, Shah VP, Stavchansky S, Barends DM.
Biowaiver monographs for immediate release solid oral dosage forms: ethambutol dihydrochloride.
J Pharm Sci. 2008; 97(4): 1350-60.

Schmitt W.
General approach for the calculation of tissue to plasma partition coefficients. 
Toxicol In Vitro. 2008; 22(2): 457-67. 

Waldherr S, Eissing T, Allgöwer F.
Feedback during Life and Death of a Cell: Approaches for Systems Theoretical Analysis.
Automatisierungstechnik. 2008; 56(5): 233-240.

Chaves M, Eissing T, Allgöwer F.
Bistable biological systems: a characterization through local compact input-to-state stability. 
IEEE Trans Aut Cont. 2008; 53(1): 87-100.


2007  -  top of page

Willmann S, Höhn K, Edginton A, Sevestre M, Solodenko J, Weiss W, Lippert J, Schmitt W.
Development of a physiology-based whole-body population model for assessing the influence of individual variability on the pharmacokinetics of drugs. 
J Pharmacokinet Pharmacodyn. 2007; 34(3): 401-431. 

Bucholz R, Lippert J.
Von der Einzelzelle zum Organismus, vom Computermodell zum Bioreaktor - Verfahrenstechnik in der medizinischen Forschung.
Chem Ing Tech, 79(9):1384:1385. 

Vossen M, Sevestre M, Niederalt C, Jang IJ, Willmann S, Edginton AN.
Dynamically simulating the interaction of midazolam and the CYP3A4 inhibitor itraconazole using individual coupled whole-body physiologically-based pharmacokinetic (WB-PBPK) models.
Theor Biol Med Model. 2007, 4: 13. 

Willmann S, Edginton AN, Dressman JB. 
Development and validation of a physiology-based model for the prediction of oral absorption in monkeys. 
Pharm Res. 2007; 24(7): 1275-1282.

Kuepfer L, Peter M, Sauer U, Stelling J.
Ensemble modeling for analysis of cell signaling dynamics.
Nat Biotechnol. 2007; 25(9): 1001-1006.
Schuetz R, Kuepfer L, Sauer U.
Systematic evaluation of objective functions for predicting intracellular fluxes in Escherichia coli.
Mol Syst Biol. 2007; 3: 119.

Kuepfer L, Sauer U, Parrilo PA.
Efficient classification of complete parameter regions based on semidefinite programming.
BMC Bioinformatics. 2007; 8: 12.

Becker C, Dressman JB, Amidon GL, Junginger HE, Kopp S, Midha KK, Shah VP, Stavchansky S, Barends DM; International Pharmaceutical Federation, Groupe BCS.
Biowaiver monographs for immediate release solid oral dosage forms: isoniazid.
J Pharm Sci. 2007;96(3): 522-31.

Drasdo D, Hoehme S, Block M.
On the Role of Physics in the Growth and Pattern Formation of Multi-Cellular Systems: What can we Learn from Individual-Cell Based Models?
J Stat Phys. 2007; 128(1-2): 287-345.

Block M, Schöll E, Drasdo D.
Classifying the expansion kinetics and critical surface dynamics of growing cell populations.
Phys Rev Lett. 2007; 99(24): 248101. 

Eissing T, Waldherr S, Allgöwer F, Scheurich P, Bullinger E.
Steady state and (bi-)stability evaluation of simple protease signalling networks.
BioSystems. 2007; 90(3): 591-601. 

Eissing T, Waldherr S, Allgöwer F, Scheurich P, Bullinger E.
Response to Bistability in Apoptosis: Roles of Bax, Bcl-2, and Mitochondrial Permeability Transition Pores.
Biophys J. 2007; 92(9): 3332-3334.


2006  -  top of page

Edginton AN, Schmitt W, Willmann S 
Development and evaluation of a generic physiologically based pharmacokinetic model for children. 
Clin Pharmacokinet. 2006; 45(10): 1013-1034. 

Edginton AN, Schmitt W, Voith B, Willmann S 
A mechanistic approach for the scaling of clearance in children. 
Clin Pharmacokinet. 2006, 45(7): 683-704. 
Erratum in: Clin Pharmacokinet. 2006; 45(11): 1075. 

Edginton AN, Schmitt W, Willmann S 
Application of physiology-based pharmacokinetic and pharmacodynamic modeling to individualized target-controlled propofol infusions. 
Adv Ther. 2006; 23(1): 143-158. 

Edginton AN, Willmann S 
Physiology-based versus allometric scaling of clearance in children; an eliminating process based comparison. 
Paediatr Perinat Drug Ther, 2006; 7 (3): 146-153.


2005  -  top of page

Willmann S, Lippert J, Schmitt W. 
From physicochemistry to absorption and distribution: predictive mechanistic modelling and computational tools. 
Expert Opin Drug Metab Toxicol. 2005; 1(1): 159-168. 

Schmitt W, Willmann S 
Physiology-based pharmacokinetic modeling: ready to be used.
Drug Discov Today. 2005; 2(1): 125-132.

Kuepfer L, Sauer U, Blank LM.
Metabolic functions of duplicate genes in Saccharomyces cerevisiae.
Genome Res. 2005; 15(10): 1421-1430.

Blank LM, Kuepfer L, Sauer U.
Large-scale 13C-flux analysis reveals mechanistic principles of metabolic network robustness to null mutations in yeast.
Genome Biol. 2005; 6(6): R49. 

Eissing T, Allgöwer F, Bullinger E
Robustness properties of apoptosis models with respect to parameter variations and stochastic influences.
Syst Biol (Stevenage). 2005; 152(4): 221-228.


2004  -  top of page

Willmann S, Schmitt W, Keldenich J, Lippert J, Dressman JB. 
A physiological model for the estimation of the fraction dose absorbed in humans. 
J Med Chem. 2004; 47(16): 4022-4031.

Eissing T, Conzelmann H, Gilles ED, Allgöwer F, Bullinger E, Scheurich P.
Bistability analyses of a caspase activation model for receptor-induced apoptosis.
J Biol Chem. 2004; 279(35): 36892-36897.


2003  -  top of page

Willmann S, Schmitt W, Keldenich J, Dressman JB. 
A physiologic model for simulating gastrointestinal flow and drug absorption in rats.
Pharm Res. 2003; 20(11): 1766-1771. 

Willmann S, Lippert J, Sevestre M, Solodenko J, Fois F, Schmitt W 
PK-Sim®: a physiologically based pharmacokinetic ‘whole-body’ model. 
Biosilico. 2003; 1 (4): 121-124. 

April 12, 2017

Two new publications regarding PBPK modeling! : A pregnancy PBPK model has been developed, and evaluated for renally cleared drugs.

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March 28, 2017

Published in npj Systems Biology and Applications: Translational learning from clinical studies predicts drug pharmacokinetics across patient populations

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December 19, 2016

New publications regarding PBPK modeling: Elderly, Isoniazid, DDI and Diabetes. In addition: A white paper regarding good practices in drug discovery and development

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October 14, 2017

ACoP8 Conference, October 15-18 2017 in Florida

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June 25, 2017

14th European ISSX Meeting, June 26-29 2017 in Cologne

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June 05, 2017

PAGE Meeting 2017, June 06-09, Budapest, Hungary

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