| A focus on the use of real-world datasets for yield prediction L Bustillo, T Rodrigues Chemical Science, 2023 | | 2023 |
| A large-scale machine learning analysis of inorganic nanoparticles in preclinical cancer research BB Mendes, Z Zhang, J Conniot, DP Sousa, JMJM Ravasco, LA Onweller, ... Nature Nanotechnology, 1-12, 2024 | 1 | 2024 |
| A quantum mechanical study of novel potential inhibitors of cytochrome bc1 as antimalarial compounds T Rodrigues, DJVA Dos Santos, R Moreira, F Lopes, RC Guedes International Journal of Quantum Chemistry 111 (6), 1196-1207, 2011 | 18 | 2011 |
| A special issue on artificial intelligence for drug discovery T Rodrigues Bioorg Med Chem, 2022 | | 2022 |
| A Water-Bridged Cysteine-Cysteine Redox Regulation Mechanism in Bacterial Protein Tyrosine Phosphatases JB Bertoldo, T Rodrigues, L Dunsmore, FA Aprile, MC Marques, ... Chem 3 (4), 665-677, 2017 | 18 | 2017 |
| Accessing New Chemical Entities through Microfluidic Systems T Rodrigues, P Schneider, G Schneider Angewandte Chemie International Edition 53 (23), 5750-5758, 2014 | 102 | 2014 |
| 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 | 65 | 2020 |
| Allosteric Antagonist Modulation of TRPV2 by Piperlongumine Impairs Glioblastoma Progression J Conde, C Pumroy, Ruth A., Baker, T Rodrigues, et al ACS Central Science, 2021 | 44 | 2021 |
| Antibody drug-conjugates: the missing link T Rodrigues, GJL Bernardes Nature Chemistry 8, 1088–1090, 2016 | 10 | 2016 |
| Antiplasmodial Drugs in the Gas Phase: A CID and DFT Study of Quinolon-4 (1H)-Imine Derivatives PJA Madeira, ARF Sitoe, D Gonçalves, T Rodrigues, RC Guedes, F Lopes, ... Journal of The American Society for Mass Spectrometry 25 (9), 1650-1661, 2014 | 2 | 2014 |
| Augmenting Adaptive Machine Learning with Kinetic Modeling for Reaction Optimization FA Almeida, FAP Ataíde, RMS Loureiro, R Moreira, T Rodrigues Journal of Organic Chemistry, 2021 | 11 | 2021 |
| Bis {(E)-3-[(diethylmethylammonio) methyl]-N-[3-(N, N-dimethylsulfamoyl)-1-methylpyridin-4-ylidene]-4-methoxyanilinium} tetraiodide pentahydrate T Rodrigues, R Moreira, B Dacunha-Marinho, F Lopes Acta Crystallographica Section E: Structure Reports Online 65 (2), o283-o284, 2009 | 5 | 2009 |
| Brain-Sparing Sympathofacilitators Mitigate Obesity without Adverse Cardiovascular Effects I Mahú, A Barateiro, E Rial-Pensado, N Martinéz-Sánchez, SH Vaz, ... Cell Metabolism, 2020 | 23 | 2020 |
| 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 | 158 | 2013 |
| Chemoproteomics-Enabled Identification of 4-Oxo-β-Lactams as Inhibitors of Dipeptidyl Peptidases 8 and 9 LAR Carvalho, L Ross, B., Fehr, O Bolgi, S Wöhrle, KL Lum, ... Angewandte Chemie International Edition, 2022 | 8* | 2022 |
| 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 | 99 | 2018 |
| Combating small molecule aggregation with machine learning K Lee, A Yang, YC Lin, D Reker, GJL Bernardes, T Rodrigues Cell Reports Physical Science 2, 100573, 2021 | 17 | 2021 |
| Combinatorial chemistry by ant colony optimization. JA Hiss, M Reutlinger, CP Koch, AM Perna, P Schneider, T Rodrigues, ... Future medicinal chemistry 6 (3), 267-280, 2014 | 18 | 2014 |
| 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 | 80 | 2014 |
| Computational advances in combating colloidal aggregation in drug discovery D Reker, GJL Bernardes, T Rodrigues Nature Chemistry 11, 402-418, 2019 | 66 | 2019 |
Daniel RekerAssistant Professor at Duke University在 duke.edu 的电子邮件经过验证
Daniel RekerAssistant Professor at Duke University在 duke.edu 的电子邮件经过验证
Yen-Chu LinETH, A*STAR, Insilico Medicine Taiwan在 insilico.com 的电子邮件经过验证