Suchergebnisse

Cazade, P. A.; Bereau, T.; Meuwly, M.: Computational Two-Dimensional Infrared Spectroscopy without Maps: N-Methylacetamide in Water. The Journal of Physical Chemistry B 118 (28), S. 8135 - 8147 (2014)

Bereau, T.: Data-Driven Methods in Multiscale Modeling of Soft Matter. In: Handbook of Materials Modeling, S. 1 - 12 (Hg. Andreoni, W.; Yip, S.). Springer, Cham (2018)

Bereau, T.: High-throughput molecular dynamics of drug-membrane thermodynamics. In Abstracts of Papers of the American Chemical Society, 258, 105-COMP. ACS Fall National Meeting and Exposition, San Diego, CA, 25. August 2019 - 29. August 2019. (2019)

Menichetti, R.; Kanekal, K.; Bereau, T.: Investigating Drug-Membrane Permeability across Chemical Compound Space using High-Throughput Coarse-Grained Simulations. In Biophysical Journal, 116 (3), 1567-Plat, S. 318A - 318A. 63rd Annual Meeting of the Biophysical-Society, Baltimore, MD, 02. März 2019 - 06. März 2019. Cell Press, Cambridge, Mass. (2019)

Rudzinski, J. F.; Bereau, T.: Consistent representation of structural and dynamical properties from coarse-grained simulation models. In Abstracts of Papers of the American Chemical Society, 258, 22-COMP. ACS Fall National Meeting and Exposition, San Diego, CA, 25. August 2019 - 29. August 2019. (2019)

Bereau, T.; Bereau, T.: Computational High-throughput Screening of Drug-Membrane Thermodynamics. In Biophysical Journal, 114 (3), 2754-Plat, S. 557A - 557A. 62nd Annual Meeting of the Biophysical-Society, San Francisco, CA, 17. Februar 2018 - 21. Februar 2018. Cell Press, Cambridge, Mass. (2018)

Menichetti, R.; Kanekal, K.; Kremer, K.; Bereau, T.: High-Throughput Thermodynamics of Drug-Membrane Interactions from Multiscale Simulations. In Biophysical Journal, 112 (3), 689-Pos, S. 140A - 140A. 61st Annual Meeting of the Biophysical-Society, New Orleans, LA, 11. Februar 2017 - 15. Februar 2017. Cell Press, Cambridge, Mass. (2017)

Rudzinski, J. F.; Kremer, K.; Bereau, T.: Characterization of Coarse-Grained Helix-Coil Transition Kinetics using Markov State Models. In Biophysical Journal, 112 (3), 958-Pos, S. 194A - 194A . 61st Annual Meeting of the Biophysical-Society, New Orleans, LA, 11. Februar 2017 - 15. Februar 2017. Cell Press, Cambridge, Mass. (2017)

Rudzinski, J. F.; Kremer, K.; Bereau, T.: Improved Kinetics of Molecular Simulations using Biased Markov State Models. In Biophysical Journal, 110 (3), S. 523A - 523A . Cell Press, Cambridge, Mass. (2016)

Bereau, T.; Deserno, M.: Transmembrane-Peptide Structure Formation from Coarse-Grained Simulations. In Biophysical Journal, 108 (2), 1251-Pos, S. 247A - 248A . Cell Press, Cambridge, Mass. (2015)