Dr. Petra Schneider
Areas of interest
- Virtual compound screening & artificial intelligence
- Isothermal Titration Calorimetry (ITC)
- Differential Scanning Calorimetry (DSC)
- Surface Plasmon Resonance (SPR)
Selected Publications
- Schneider, P. and Schneider, G. (2017) A computational method for unveiling the target promiscuity of pharmacologically active compounds in silico. external pageAngew. Chem. Int. Ed. 56, 11520–11524.
- Schneider, P. and Schneider, G. (2017) Privileged structures revisited. external pageAngew. Chem. Int. Ed. 56, 7971–7974.
- Schneider, G. and Schneider, P. (2017) Macromolecular target prediction by self-organizing feature maps. external pageExpert Opin. Drug Discov. 12, 271–277.
- Schneider, P. and Schneider, G. (2017) De-orphaning the marine natural product (±)-marinopyrrole A by computational target prediction and biochemical validation. external pageChem. Commun. 53, 2272–2274.
- Schneider, P., Müller, A. T., Gabernet, G., Button, A. L., Posselt, G., Wessler, S., Hiss, J. A. and Schneider, G. (2017) Hybrid network model for "deep learning" of chemical data: Application to antimicrobial peptides. external pageMol. Inf. 36, 1600011.
- Schneider, P. and Schneider, G. (2016) De novo design at the edge of chaos. external pageJ. Med. Chem. 59, 4077–4086.
- Rodrigues, T., Reker, D., Schneider, P. and Schneider, G. (2016) Counting on natural products for drug design. external pageNature Chem. 8, 531–542.
- Reker, D., Schneider, P. and Schneider, G. (2016) Multi-objective active machine learning rapidly improves structure-activity models and reveals new protein-protein interaction inhibitors. external pageChem. Sci. 7, 3919–3927.
- Wichert, M., Krall, N., Decurtins, W., Franzini, R. M., Pretto, F., Schneider, P., Neri, D. and Scheuermann, J. (2015) Dual-display of small molecules enables the discovery of ligand pairs and facilitates affinity maturation. external pageNature Chem. 2015, 7, 241–249.
- Schneider, G. and Schneider, P. (2015) Inferring associations between macromolecular drug targets by self-organizing pharmacophore fingerprints. external pageCICSJ Bulletin 33, 2–5.
- Schneider, G., Reker, D., Rodrigues, T. and Schneider, P. (2014) Coping with polypharmacology by computational medicinal chemistry. external pageChimia 68, 648–653.
- Schneider, G., Geppert, T., Hartenfeller, M., Reisen, F., Klenner, A., Reutlinger, M., Hähnke, V., Hiss, J. A., Zettl, H., Keppner, S., Spänkuch, S. and Schneider, P. (2011) Reaction-driven de novo design, synthesis and testing of potential type II kinase inhibitors. external pageFuture Med. Chem. 3, 415-424.
- Schneider, P., Stutz, K., Kasper, L., Haller, S., Reutlinger, M., Reisen, F., Geppert, T. and Schneider, G. (2011) Target profile prediction for a Biginelli-type dihydropyrimidine compound library and practical evaluation. external pagePharmaceuticals 4, 1236-1247.external page