Publications of Tristan Bereau

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), pp. 8135 - 8147 (2014)

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

Girard, M.; Bereau, T.: Imposed and induced asymmetries in membranes. In Biophysical Journal, 121 3 Ed., 1045-Pos, p. 215a - 215a. Cell Press, Cambridge, Mass. (2022)

Bozkurt Varolgunes, Y.; Bereau, T.; Rudzinski, J. F.: Automated Identification of Collective Variables and Metastable States from Molecular Dynamics Data. In Biophysical Journal, 120, 382-Pos, p. 79A - 79A. 65th Biophysical Society Annual Meeting, Virtual, Online, February 22, 2021 - February 26, 2021. Cell Press, Cambridge, Mass. (2021)

Girard, M.; Bereau, T.: Insights into Regulation of Cell Membranes through Regulated Ensembles. In Biophysical Journal, 120, 23-Subg, pp. 5A - 5A. 65th Biophysical Society Annual Meeting, Virtual, Online, February 22, 2021 - February 26, 2021. Cell Press, Cambridge, Mass. (2021)

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, August 25, 2019 - August 29, 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, p. 318A - 318A. 63rd Annual Meeting of the Biophysical-Society, Baltimore, MD, March 02, 2019 - March 06, 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, August 25, 2019 - August 29, 2019. (2019)

Bereau, T.; Bereau, T.: Computational High-throughput Screening of Drug-Membrane Thermodynamics. In Biophysical Journal, 114 (3), 2754-Plat, p. 557A - 557A. 62nd Annual Meeting of the Biophysical-Society, San Francisco, CA, February 17, 2018 - February 21, 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, p. 140A - 140A. 61st Annual Meeting of the Biophysical-Society, New Orleans, LA, February 11, 2017 - February 15, 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, pp. 194A - 194A . 61st Annual Meeting of the Biophysical-Society, New Orleans, LA, February 11, 2017 - February 15, 2017. Cell Press, Cambridge, Mass. (2017)

Rudzinski, J. F.; Radu, M.; Kremer, K.; Bereau, T.: Building Markov state models of diffusion processes in many-particle systems from generic order parameters. In Abstracts of Papers of the American Chemical Society, 253, 134. 253rd National Meeting of the American-Chemical-Society (ACS) on Advanced Materials, Technologies, Systems, and Processes, San Francisco, CA, March 30, 2017 - April 07, 2017. (2017)

Rudzinski, J. F.; Kremer, K.; Bereau, T.: Improved Kinetics of Molecular Simulations using Biased Markov State Models. In Biophysical Journal, 110 (3), pp. 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, pp. 247A - 248A . Cell Press, Cambridge, Mass. (2015)

Bereau, T.: Computational compound screening of biomolecules and soft materials by molecular simulations. Modelling and Simulation in Materials Science and Engineering 29 (2), 023001 (2021)