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Chemical Science|June 3, 2022
Data-driven discovery of cardiolipin-selective small molecules by computational active learningBernadette Mohr, Kirill Shmilovich, Isabel S Kleinwächter, et al.RSC Chemical Biology|July 22, 2022
CLiB - a novel cardiolipin-binder isolated via data-driven and in vitro screeningIsabel Kleinwächter, Bernadette Mohr, Aljoscha Joppe, et al.Journal of Physics. Condensed Matter : an Institute of Physics Journal|February 16, 2021
Dynamical properties across different coarse-grained models for ionic liquidsJoseph F Rudzinski, Sebastian Kloth, Svenja Wörner, et al.The Journal of Physical Chemistry. B|April 9, 2013
Scoring multipole electrostatics in condensed-phase atomistic simulationsTristan Bereau, Christian Kramer, Fabien W Monnard, et al.Membranes|April 3, 2021
The Bacteriostatic Activity of 2-Phenylethanol Derivatives Correlates with Membrane Binding AffinityIsabel S Kleinwächter, Stefanie Pannwitt, Alessia Centi, et al.Biomaterials Science|June 21, 2023
Inverse design of viral infectivity-enhancing peptide fibrils from continuous protein-vector embeddingsKübra Kaygisiz, Arghya Dutta, Lena Rauch-Wirth, et al.The Journal of Chemical Physics|June 8, 2015
Solvation of fluoro-acetonitrile in water by 2D-IR spectroscopy: A combined experimental-computational studyPierre-André Cazade, Halina Tran, Tristan Bereau, et al.The Journal of Physical Chemistry. B|January 18, 2020
Probing Nanoparticle/Membrane Interactions by Combining Amphiphilic Diblock Copolymer Assembly and PlasmonicsAmelie H R Koch, Svenja Morsbach, Tristan Bereau, et al.Science Advances|May 23, 2020
Designing exceptional gas-separation polymer membranes using machine learningJ Wesley Barnett, Connor R Bilchak, Yiwen Wang, et al.Chemistry (Weinheim an Der Bergstrasse, Germany)|May 16, 2017
Nitrated Fatty Acids Modulate the Physical Properties of Model Membranes and the Structure of Transmembrane ProteinsJohannes Franz, Tristan Bereau, Stefanie Pannwitt, et al.Pageof 7