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.

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2009

2008

2007

2006

2005

2004

2003

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2009          -

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

2008          -

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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          -

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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.

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          -

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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          -

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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          -

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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          -

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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.