Publications

C Hoffmann, A Centi, R Menichetti, T Bereau (2020). Molecular dynamics trajectories for 630 coarse-grained drug-membrane permeations. Sci. Data 7, 1–7 (2020)..

PDF Cite Dataset DOI

C Hoffmann, R Menichetti, KH Kanekal, T Bereau (2019). Controlled exploration of chemical space by machine learning of coarse-grained representations. Phys. Rev. E 100, 033302 (2019)..

PDF Cite Dataset DOI Preprint

H Kaur, A Lakatos, R Spadaccini, R Vogel, C Hoffmann, J Becker-Baldus, O Ouari, P Tordo, H Mchaourab, C Glaubitz (2015). The ABC exporter MsbA probed by solid state NMR – challenges and opportunities. J. Biol. Chem 396, 1135–1149 (2015)..

Cite DOI Preprint