Identifying the macromolecular targets of de novo-designed chemical entities through self-organizing map consensus

Por Reker, Daniel, Rodrigues, Tiago, Schneider, Petra, Schneider, Gisbert
Publicado em 2014

Target prediction by cascaded self-organizing maps for ligand de-orphaning and side-effect investigation

Por Reker, Daniel, Rodrigues, Tiago, Schneider, Petra, Schneider, Gisbert
Publicado em 2014

Chemically Advanced Template Search (CATS) for Scaffold-Hopping and Prospective Target Prediction for ‘Orphan’ Molecules

Por Reutlinger, Michael, Koch, Christian P, Reker, Daniel, Todoroff, Nickolay, Schneider, Petra, Rodrigues, Tiago, Schneider, Gisbert
Publicado em 2013

New use of an old drug: inhibition of breast cancer stem cells by benztropine mesylate

Por Cui, Jihong, Hollmén, Maija, Li, Lina, Chen, Yong, Proulx, Steven T., Reker, Daniel, Schneider, Gisbert, Detmar, Michael
Publicado no Oncotarget (2016)

Fragment-Based De Novo Design Reveals a Small-Molecule Inhibitor of Helicobacter Pylori HtrA**

Por Perna, Anna M., Rodrigues, Tiago, Schmidt, Thomas P., Böhm, Manja, Stutz, Katharina, Reker, Daniel, Pfeiffer, Bernhard, Altmann, Karl-Heinz, Backert, Steffen, Wessler, Silja, Schneider, Gisbert
Publicado no Angew Chem Int Ed Engl (2015)

Predicting protein-ligand interactions based on bow-pharmacological space and Bayesian additive regression trees

Por Li, Li, Koh, Ching Chiek, Reker, Daniel, Brown, J. B., Wang, Haishuai, Lee, Nicholas Keone, Liow, Hien-haw, Dai, Hao, Fan, Huai-Meng, Chen, Luonan, Wei, Dong-Qing
Publicado no Sci Rep (2019)