Selected publications

1. N. Kaewjiw, T. Thaingtamtanha, D. Mehra, W. Chawnawa, T. Prommool, C. Puttikhunt, A. Songjaeng, K. Kongmanas, P. Avirutnan, P. Luangaram, C. Srisawat, S. Roytrakul, S. A. Bäurle and S. Noisakran, Domperidone inhibits dengue virus infection by targeting the viral envelope protein and nonstructural protein 1,  Sci. Rep. 15 , 3817 (2025); doi: 10.1038/s41598-025-87146-w

2. K. M. Schneider, K. Giehl and S. A. Baeurle, Development and application of an agent-based model for the simulation of the extravasation process of circulating tumor cells, Int. J. Numer. Meth. Biomed. Engng. 39(4) , e3679 (2023); doi: 10.1002/cnm.3679

3. T. Thaingtamtanha and S. A. Baeurle, Study of protease-mediated processes initiating viral infection and cell-cell viral spreading of SARS-CoV-2, J. Mol. Model. 28, 224 (2022); doi: 10.1007/s00894-022-05206-8

4. S. Donets, A. Pershin and S. A. Baeurle, Computation of full polymer-based photovoltaic nanodevices using parametrized field-based multiscale solar-cell approach, Org. Electron. 22, 216-228 (2015); doi: 10.1016/j.orgel.2015.03.049   

5. A. Pershin, S. Donets and S. A. Baeurle, Photocurrent contribution form intersegmental mixing in donor-accepto-type polymer solar cells: A multiscale simulation study, Polymer 55, 3736-3745 (2014); doi: 10.1016/j.polymer.2014.06.038   

6. E. Peter, B. Dick, I Stambolic and S. A. Baeurle, Exploring the multiscale signaling behavior of phototropin1 from Chlamydomonas reinhardtii using a full-residue space kinetic Monte Carlo molecular dynamics technique, Proteins 82, 2018-2040 (2014); doi: 10.1002/prot.24556 

7. A. Pershin, S. Donets and S. A. Baeurle, Performance enhancement of block-copolymer solar cells through tapering the donor-acceptor interface: A multiscale study, Polymer 55, 1507-1513 (2014); doi: 10.1016/j.polymer.2014.01.052 

8. A. Pershin, S. Donets and S. A. Baeurle, A new multiscale modeling method for simulating the loss processes in polymer solar cell nanodevices, J. Chem. Phys. 136, 194102 (2012); doi: 10.1063/1.4712622 

10. E. Peter, B. Dick and S. A. Baeurle, Mechanism of signal transduction of the LOV2-Jα-photosensor from Avena Sativa, Nat. Commun. 1, 122 (2010); doi: 10.1038/ncomms1121 

11. S. A. Baeurle, M. G. Kiselev, E. S. Mackarova and E. A. Nogovitsin, Effect of counterion behavior on the shear-compressive properties of chondroitin sulfate solution, Polymer 50, 1805-1813 (2009); doi: 10.1016/j.polymer.2009.01.066 

12. S. A. Baeurle, T. Usami and A. A. Gusev, A new multiscale modeling approach for the prediction of mechanical properties of polymer-based nanomaterials, Polymer 47, 8604-8617 (2006); doi: 10.1016/j.polymer.2006.10.017 

13. S. A. Baeurle, A. Hotta and A. A. Gusev, On the glassy state of multi-phase and pure polymer materials, Polymer 47, 6243-6235 (2006); doi: 10.1016/j.polymer.2006.05.076  

14. S. A. Baeurle, A. Hotta and A. A. Gusev, A new semi-phenomenological approach to predict the stress relaxation behavior of thermoplastic elastomers, Polymer 46, 4344-4354 (2005); doi: 10.1016/j.polymer.2004.07.034 

15. S. A. Baeurle, G. H. Fredrickson and A. A. Gusev, Prediction of elastic properties of a poly-(styrene-butadiene-styrene) copolymer using a mixed finite element approach, Macromolecules 37, 5784-5791 (2004); doi: 10.1021/ma035528d 

 16. S. A. Baeurle, Grand canonical auxiliary field Monte Carlo: a new technique for simulating open systems at high density, Comput. Phys. Commun. 157, 201-206 (2004); doi: 10.1016/j.comphy.2003.11.001 

 17. A. G. Moreira, S. A. Baeurle and G. H. Fredrickson, Global stationary phase and the sign problem, Phys. Rev. Lett. 91, 150201 (2003); doi: 10.1103/PhysRevLett.91.150201 

 18. S. A. Baeurle, Computation within the auxiliary field approach, J. Comput. Phys. 184, 540-558 (2003); doi: 10.1016/S0021-9991(02)00036-0 

 19.  S. A. Baeurle, Method of Gaussian equivalent representation: a new technique for reducing the sign problem of functional integral methods,  Phys. Rev. Lett.   89 , 080602 (2002);   doi: 10.1103/PhysRevLett.89.080602  

 20. S. A. Baeurle, R. Martonak and M. Parrinello, A field-theoretical approach to simulation in the classical canonical and grand-canonical ensemble, J. Chem. Phys. 117, 3027-3039 (2002); doi: 10.1063/1.1488587