Daniel Reker
Daniel Reker
Assistant Professor at Duke University
Verified email at duke.edu - Homepage
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
6632016
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
1802014
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
1212013
Active-learning strategies in computer-assisted drug discovery
D Reker, G Schneider
Drug discovery today 20 (4), 458-465, 2015
1182015
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
1112014
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
752013
Active learning for computational chemogenomics
D Reker, P Schneider, G Schneider, JB Brown
Future Medicinal Chemistry 9 (4), 381-402, 2017
622017
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
542015
“Inactive” ingredients in oral medications
D Reker, SM Blum, C Steiger, KE Anger, JM Sommer, J Fanikos, ...
Science Translational Medicine 11 (483), eaau6753, 2019
442019
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
412016
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
392015
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
342014
Computational advances in combating colloidal aggregation in drug discovery
D Reker, GJL Bernardes, T Rodrigues
Nature chemistry 11 (5), 402-418, 2019
322019
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
322016
Spotting and designing promiscuous ligands for drug discovery
P Schneider, M Röthlisberger, D Reker, G Schneider
Chemical Communications 52 (6), 1135-1138, 2016
322016
Artificial intelligence in chemistry and drug design
N Brown, P Ertl, R Lewis, T Luksch, D Reker, N Schneider
Journal of Computer-Aided Molecular Design, 1-7, 2020
312020
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
312015
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
282015
Chemography of natural product space
T Miyao, D Reker, P Schneider, K Funatsu, G Schneider
Planta medica 81 (06), 429-435, 2015
242015
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
232013
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