Daniel Reker
Daniel Reker
SNSF Postdoctoral Fellow with Prof. Robert Langer, Koch Institute at MIT
Verified email at mit.edu
Title
Cited by
Cited by
Year
Counting on natural products for drug design
T Rodrigues, D Reker, P Schneider, G Schneider
Nature chemistry 8 (6), 531-541, 2016
4292016
Identifying the macromolecular targets of de novo-designed chemical entities through self-organizing map consensus
D Reker, T Rodrigues, P Schneider, G Schneider
Proceedings of the National Academy of Sciences 111 (11), 4067-4072, 2014
1432014
Revealing the macromolecular targets of complex natural products
D Reker, AM Perna, T Rodrigues, P Schneider, M Reutlinger, B Mönch, ...
Nature Chemistry 6 (12), 1072-1078, 2014
992014
Chemically Advanced Template Search (CATS) for Scaffold‐Hopping and Prospective Target Prediction for ‘Orphan’Molecules
M Reutlinger, CP Koch, D Reker, N Todoroff, P Schneider, T Rodrigues, ...
Molecular Informatics 32 (2), 133-138, 2013
982013
Active-learning strategies in computer-assisted drug discovery
D Reker, G Schneider
Drug discovery today 20 (4), 458-465, 2015
842015
Common non-epigenetic drugs as epigenetic modulators
J Lötsch, G Schneider, D Reker, MJ Parnham, P Schneider, G Geisslinger, ...
Trends in molecular medicine 19 (12), 742-753, 2013
602013
Active learning for computational chemogenomics
D Reker, P Schneider, G Schneider, JB Brown
Future Medicinal Chemistry 9 (4), 381-402, 2017
472017
Revealing the Macromolecular Targets of Fragment‐Like Natural Products
T Rodrigues, D Reker, J Kunze, P Schneider, G Schneider
Angewandte Chemie International Edition 54 (36), 10516-10520, 2015
472015
Multidimensional De Novo Design Reveals 5‐HT2B Receptor‐Selective Ligands
T Rodrigues, N Hauser, D Reker, M Reutlinger, T Wunderlin, J Hamon, ...
Angewandte Chemie International Edition 54 (5), 1551-1555, 2015
372015
Deorphaning Pyrrolopyrazines as Potent Multi‐Target Antimalarial Agents
D Reker, M Seet, M Pillong, CP Koch, P Schneider, MC Witschel, ...
Angewandte Chemie International Edition 53 (27), 7079-7084, 2014
332014
Multi-objective active machine learning rapidly improves structure–activity models and reveals new protein–protein interaction inhibitors
D Reker, P Schneider, G Schneider
Chemical Science 7 (6), 3919-3927, 2016
282016
Fragment‐Based De Novo Design Reveals a Small‐Molecule Inhibitor of Helicobacter Pylori HtrA
AM Perna, T Rodrigues, TP Schmidt, M Böhm, K Stutz, D Reker, B Pfeiffer, ...
Angewandte Chemie International Edition 54 (35), 10244-10248, 2015
282015
Deorphaning the Macromolecular Targets of the Natural Anticancer Compound Doliculide
G Schneider, D Reker, T Chen, K Hauenstein, P Schneider, KH Altmann
Angewandte Chemie International Edition 55 (40), 12408-12411, 2016
272016
Spotting and designing promiscuous ligands for drug discovery
P Schneider, M Röthlisberger, D Reker, G Schneider
Chemical Communications 52 (6), 1135-1138, 2016
272016
Chemography of natural product space
T Miyao, D Reker, P Schneider, K Funatsu, G Schneider
Planta medica 81 (06), 429-435, 2015
232015
De Novo Fragment Design for Drug Discovery and Chemical Biology
T Rodrigues, D Reker, M Welin, M Caldera, C Brunner, G Gabernet, ...
Angewandte Chemie International Edition 54 (50), 15079-15083, 2015
222015
De novo design and optimization of Aurora A kinase inhibitors
T Rodrigues, F Roudnicky, CP Koch, T Kudoh, D Reker, M Detmar, ...
Chemical Science 4 (3), 1229-1233, 2013
192013
Bioinformatic challenges in targeted proteomics
D Reker, L Malmström
Journal of proteome research 11 (9), 4393-4402, 2012
192012
Computational advances in combating colloidal aggregation in drug discovery
D Reker, GJL Bernardes, T Rodrigues
Nature chemistry 11 (5), 402-418, 2019
182019
Matrix‐based Molecular Descriptors for Prospective Virtual Compound Screening
F Grisoni, D Reker, P Schneider, L Friedrich, V Consonni, R Todeschini, ...
Molecular Informatics 36 (1-2), 2017
172017
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Articles 1–20