Publications
Selected publications and reference material
BTS scientists have many years of experience in computational systems biology. Selected references for the different product areas and services are listed below.
2010 - 2009 - 2008 - 2007 - 2006 - 2005 - 2004 - 2003
2010 - | top of page |
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; in press.
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 |
Analysis of nifedipine absorption from soft gelatin capsules using PBPK modeling and biorelevant dissolution testing.
J Pharm Sci. 2009; advance online publication.
Risk to the Breast-Fed Neonate From Codeine Treatment to the Mother: A Quantitative Mechanistic Modeling Study.
Clin Pharmacol Ther. 2009; advance online publication.
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.
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.
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.
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.
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.
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.
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.
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