| Design, synthesis and in vitro evaluation of novel SARS-CoV-2 3CLpro covalent inhibitors JK Stille, J Tjutrins, G Wang, FA Venegas, C Hennecker, AM Rueda, ... European journal of medicinal chemistry 229, 114046, 2022 | 72 | 2022 |
| 4′-C-Methoxy-2′-deoxy-2′-fluoro Modified Ribonucleotides Improve Metabolic Stability and Elicit Efficient RNAi-Mediated Gene Silencing E Malek-Adamian, DC Guenther, S Matsuda, S Martínez-Montero, I Zlatev, ... Journal of the American Chemical Society 139 (41), 14542-14555, 2017 | 61 | 2017 |
| From desktop to benchtop with automated computational workflows for computer-aided design in asymmetric catalysis M Burai Patrascu, J Pottel, S Pinus, M Bezanson, PO Norrby, N Moitessier Nature Catalysis 3 (7), 574-584, 2020 | 51* | 2020 |
| Adjusting the structure of 2′-modified nucleosides and oligonucleotides via C4′-α-F or C4′-α-OMe substitution: synthesis and conformational analysis E Malek-Adamian, MB Patrascu, SK Jana, S Martínez-Montero, ... The Journal of Organic Chemistry 83 (17), 9839-9849, 2018 | 41 | 2018 |
| Accurately modeling the conformational preferences of nucleosides M Burai Patrascu, E Malek-Adamian, MJ Damha, N Moitessier Journal of the American Chemical Society 139 (39), 13620-13623, 2017 | 30 | 2017 |
| Exploring atypical fluorine–hydrogen bonds and their effects on nucleoside conformations D O'reilly, RS Stein, MB Patrascu, SK Jana, J Kurian, N Moitessier, ... Chemistry–A European Journal 24 (61), 16432-16439, 2018 | 20 | 2018 |
| Integrated synthetic, biophysical, and computational investigations of covalent inhibitors of prolyl oligopeptidase and fibroblast activation protein α J Plescia, S De Cesco, MB Patrascu, J Kurian, J Di Trani, C Dufresne, ... Journal of Medicinal Chemistry 62 (17), 7874-7884, 2019 | 15 | 2019 |
| Docking Ligands into Flexible and Solvated Macromolecules. 8. Forming New Bonds─ Challenges and Opportunities A Labarre, JK Stille, MB Patrascu, A Martins, J Pottel, N Moitessier Journal of Chemical Information and Modeling 62 (4), 1061-1077, 2022 | 14 | 2022 |
| The Immunomodulatory Potential of Short-Chain Fatty Acids in Multiple Sclerosis L Barcutean, S Maier, M Burai-Patrascu, L Farczadi, R Balasa International Journal of Molecular Sciences 25 (6), 3198, 2024 | 10 | 2024 |
| The First CACHE Challenge–Identifying Binders of the WD-Repeat Domain of Leucine-Rich Repeat Kinase 2 M Burai-Patrascu, AK Nivedha, O Rostaing, P Chukka, N Moitessier, ... | 5 | 2022 |
| Machine learning-augmented docking. 1. CYP inhibition prediction B Weiser, J Genzling, M Burai-Patrascu, O Rostaing, N Moitessier Digital Discovery 2 (6), 1841-1849, 2023 | 3 | 2023 |
| Computational methods for prediction of drug properties-application to Cytochrome P450 metabolism prediction MB Patrascu, J Plescia, A Kalgutkar, V Mascitti, N Moitessier Organic Chemistry, 0-0, 2019 | 3 | 2019 |
| Computational methods for asymmetric catalysis S Pinus, J Genzling, M Burai-Patrascu, N Moitessier Nature Catalysis, 1-16, 2024 | 1 | 2024 |
| Integration of Computational and Experimental Techniques for the Discovery of SARS-CoV-2 PLpro Covalent Inhibitors HY Huang, S Pinus, XC Zhang, G Wang, AM Rueda, Y Souaibou, S Huck, ... | 1 | 2023 |
| From Desktop to Benchtop: Developing Computational Tools for Organic and Medicinal Chemistry MR Burai-Patrascu McGill University (Canada), 2020 | 1 | 2020 |
| The Fourth CACHE Challenge–A Comprehensive Drug Discovery Workflow to Discover Potential Inhibitors of the Tyrosine Kinase Binding Domain of Cbl-b M Burai-Patrascu, O Rostaing, M Janežič, A Moitessier, SK BVS, J Pottel, ... | | 2024 |
| The First CACHE Challenge–Testing Diverse Virtual Screening Scoring Methods to Identify Potential LRRK2 Binders M Burai-Patrascu, AK Nivedha, O Rostaing, P Chukka, A Moitessier, ... | | 2024 |
| The Third CACHE Challenge–Finding Ligands Targeting the Macrodomain of SARS-CoV-2 NSP3 Using AI-inspired and Knowledge-Based Approaches. SK BVS, O Rostaing, M Burai-Patrascu, M Janezic, A Moitessier, J Pottel, ... | | 2024 |
| Catalyzing Change: The Power of Computational Asymmetric Catalysis S Pinus, J Genzling, M Burai-Patrascu, N Moitessier | | 2023 |
| The Second CACHE Challenge-Targeting the RNA-Binding Pocket of the SARS-CoV2 Nonstructural Protein 13 via a consensus-scoring method and FITTED templated docking. AK Nivedha, M Burai-Patrascu, O Rostaing, P Chukka, B Singh, ... | | 2023 |
Nicolas MoitessierMcGill UniversityDirección de correo verificada de mcgill.ca
