| Counting on natural products for drug design T Rodrigues, D Reker, P Schneider, G Schneider Nature Chemistry 8 (6), 531-541, 2016 | 1082 | 2016 |
| Synthetic organic chemistry driven by artificial intelligence AF de Almeida, R Moreira, T Rodrigues Nature Reviews Chemistry, 2019 | 231 | 2019 |
| 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 | 221 | 2014 |
| 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 | 157 | 2013 |
| Drug screen targeted at Plasmodium liver stages identifies a potent multistage antimalarial drug FP da Cruz, C Martin, K Buchholz, MJ Lafuente-Monasterio, T Rodrigues, ... Journal of Infectious Diseases 205 (8), 1278-1286, 2012 | 136 | 2012 |
| 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 | 130 | 2014 |
| Vinyl Ether/Tetrazine Pair for the Traceless Release of Alcohols in Cells E Jiménez-Moreno, Z Guo, BL Oliveira, IS Albuquerque, A Kitowski, ... Angewandte Chemie International Edition, 2017 | 117 | 2017 |
| Accessing New Chemical Entities through Microfluidic Systems T Rodrigues, P Schneider, G Schneider Angewandte Chemie International Edition 53 (23), 5750-5758, 2014 | 101 | 2014 |
| Targeting the liver stage of malaria parasites: a yet unmet goal T Rodrigues, M Prudêncio, R Moreira, MM Mota, F Lopes Journal of medicinal chemistry 55 (3), 995-1012, 2011 | 97 | 2011 |
| Multi‐Objective Molecular De Novo Design by Adaptive Fragment Prioritization M Reutlinger, T Rodrigues, P Schneider, G Schneider Angewandte Chemie International Edition 53 (16), 4244-4248, 2014 | 95 | 2014 |
| Chemoselective Installation of Amine Bonds on Proteins through Aza-Michael Ligation AM Freddy, MJ Matos, O Boutureira, F Corzana, A Guerreiro, P Akkapeddi, ... Journal of the Amercian Chemical Society, 2018 | 94 | 2018 |
| Combining On‐Chip Synthesis of a Focused Combinatorial Library with Computational Target Prediction Reveals Imidazopyridine GPCR Ligands M Reutlinger, T Rodrigues, P Schneider, G Schneider Angewandte Chemie International Edition 53 (2), 582-585, 2014 | 79 | 2014 |
| Machine intelligence decrypts β-lapachone as an allosteric 5-lipoxygenase inhibitor T Rodrigues, M Werner, J Roth, EHG da Cruz, MC Marques, SA Lobo, ... Chemical Science, 2018 | 71 | 2018 |
| Natural product modulators of Transient Receptor Potential (TRP) channels as potential anti-cancer agents T Rodrigues, F Sieglitz, GJL Bernardes Chemical Society Reviews, 2016 | 70 | 2016 |
| Inhibitors of the mitochondrial electron transport chain and de novo pyrimidine biosynthesis as antimalarials: the present status T Rodrigues, F Lopes, R Moreira Current medicinal chemistry 17 (10), 929-956, 2010 | 67 | 2010 |
| Evaluation guidelines for machine learning tools in the chemical sciences A Bender, N Schneider, M Segler, WP Walters, O Engkvist, T Rodrigues Nature Reviews Chemistry, 2022 | 65 | 2022 |
| Computational advances in combating colloidal aggregation in drug discovery D Reker, GJL Bernardes, T Rodrigues Nature Chemistry 11, 402-418, 2019 | 64 | 2019 |
| Revealing the Macromolecular Targets of Fragment‐Like Natural Products T Rodrigues, D Reker, J Kunze, P Schneider, G Schneider Angewandte Chemie International Edition 54, 10516–10520, 2015 | 63 | 2015 |
| Facts and Figures on Materials Science and Nanotechnology Progress and Investment S Talebian, T Rodrigues, J das Neves, B Sarmento, R Langer, J Conde ACS Nano, 2021 | 58 | 2021 |
| Adaptive Optimization of Chemical Reactions with Minimal Experimental Information D Reker, EA Hoyt, GJL Bernardes, T Rodrigues Cell Reports Physical Science 1 (11), 100247, 2020 | 58 | 2020 |
Daniel RekerAssistant Professor at Duke UniversityVerified email at duke.edu
