Data-driven discovery of cardiolipin-selective small molecules by computational active learning

por Mohr, Bernadette, Shmilovich, Kirill, Kleinwächter, Isabel S., Schneider, Dirk, Ferguson, Andrew L., Bereau, Tristan
Publicado 2022

The Bacteriostatic Activity of 2-Phenylethanol Derivatives Correlates with Membrane Binding Affinity

por Kleinwächter, Isabel S., Pannwitt, Stefanie, Centi, Alessia, Hellmann, Nadja, Thines, Eckhard, Bereau, Tristan, Schneider, Dirk
Publicado 2021

CLiB – a novel cardiolipin-binder isolated via data-driven and in vitro screening

por Kleinwächter, Isabel, Mohr, Bernadette, Joppe, Aljoscha, Hellmann, Nadja, Bereau, Tristan, Osiewacz, Heinz D., Schneider, Dirk
Publicado 2022