Accurately Modeling the Conformational Preferences of Nucleosides
Burai Patrascu, Mihai, Malek-Adamian, Elise, Damha, Masad J, Moitessier, Nicolas
Published in Journal of the American Chemical Society (04.10.2017)
Published in Journal of the American Chemical Society (04.10.2017)
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Journal Article
4′‑C‑Methoxy-2′-deoxy-2′-fluoro Modified Ribonucleotides Improve Metabolic Stability and Elicit Efficient RNAi-Mediated Gene Silencing
Malek-Adamian, Elise, Guenther, Dale C, Matsuda, Shigeo, Martínez-Montero, Saúl, Zlatev, Ivan, Harp, Joel, Burai Patrascu, Mihai, Foster, Donald J, Fakhoury, Johans, Perkins, Lydia, Moitessier, Nicolas, Manoharan, Rajar M, Taneja, Nate, Bisbe, Anna, Charisse, Klaus, Maier, Martin, Rajeev, Kallanthottathil G, Egli, Martin, Manoharan, Muthiah, Damha, Masad J
Published in Journal of the American Chemical Society (18.10.2017)
Published in Journal of the American Chemical Society (18.10.2017)
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Journal Article
Design, synthesis and in vitro evaluation of novel SARS-CoV-2 3CLpro covalent inhibitors
Stille, Julia K., Tjutrins, Jevgenijs, Wang, Guanyu, Venegas, Felipe A., Hennecker, Christopher, Rueda, Andrés M., Sharon, Itai, Blaine, Nicole, Miron, Caitlin E., Pinus, Sharon, Labarre, Anne, Plescia, Jessica, Burai Patrascu, Mihai, Zhang, Xiaocong, Wahba, Alexander S., Vlaho, Danielle, Huot, Mitchell J., Schmeing, T. Martin, Mittermaier, Anthony K., Moitessier, Nicolas
Published in European journal of medicinal chemistry (05.02.2022)
Published in European journal of medicinal chemistry (05.02.2022)
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Journal Article
Computational methods for prediction of drug properties - application to Cytochrome P450 metabolism prediction
Patrascu, Mihai Burai, Plescia, Jessica, Kalgutkar, Amit, Mascitti, Vincent, Moitessier, Nicolas
Published in ARKIVOC free online journal of organic chemistry (01.01.2019)
Published in ARKIVOC free online journal of organic chemistry (01.01.2019)
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Journal Article
Docking Ligands into Flexible and Solvated Macromolecules. 8. Forming New BondsChallenges and Opportunities
Labarre, Anne, Stille, Julia K, Patrascu, Mihai Burai, Martins, Andrew, Pottel, Joshua, Moitessier, Nicolas
Published in Journal of chemical information and modeling (28.02.2022)
Published in Journal of chemical information and modeling (28.02.2022)
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Journal Article
Adjusting the Structure of 2′-Modified Nucleosides and Oligonucleotides via C4′-α‑F or C4′-α-OMe Substitution: Synthesis and Conformational Analysis
Malek-Adamian, Elise, Patrascu, Mihai Burai, Jana, Sunit Kumar, Martínez-Montero, Saúl, Moitessier, Nicolas, Damha, Masad J
Published in Journal of organic chemistry (07.09.2018)
Published in Journal of organic chemistry (07.09.2018)
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Journal Article
Exploring Atypical Fluorine–Hydrogen Bonds and Their Effects on Nucleoside Conformations
O'Reilly, Daniel, Stein, Robin S., Patrascu, Mihai Burai, Jana, Sunit Kumar, Kurian, Jerry, Moitessier, Nicolas, Damha, Masad J.
Published in Chemistry : a European journal (02.11.2018)
Published in Chemistry : a European journal (02.11.2018)
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Journal Article
Machine learning-augmented docking. 1. CYP inhibition prediction
Weiser, Benjamin, Genzling, Jérôme, Burai-Patrascu, Mihai, Rostaing, Ophélie, Moitessier, Nicolas
Published in Digital discovery (04.12.2023)
Published in Digital discovery (04.12.2023)
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Journal Article
Integrated Synthetic, Biophysical, and Computational Investigations of Covalent Inhibitors of Prolyl Oligopeptidase and Fibroblast Activation Protein α
Plescia, Jessica, De Cesco, Stéphane, Patrascu, Mihai Burai, Kurian, Jerry, Di Trani, Justin, Dufresne, Caroline, Wahba, Alexander S, Janmamode, Naëla, Mittermaier, Anthony K, Moitessier, Nicolas
Published in Journal of medicinal chemistry (12.09.2019)
Published in Journal of medicinal chemistry (12.09.2019)
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Journal Article
Design, synthesis and in vitro evaluation of novel SARS-CoV-2 3CL pro covalent inhibitors
Stille, Julia K, Tjutrins, Jevgenijs, Wang, Guanyu, Venegas, Felipe A, Hennecker, Christopher, Rueda, Andrés M, Sharon, Itai, Blaine, Nicole, Miron, Caitlin E, Pinus, Sharon, Labarre, Anne, Plescia, Jessica, Burai Patrascu, Mihai, Zhang, Xiaocong, Wahba, Alexander S, Vlaho, Danielle, Huot, Mitchell J, Schmeing, T Martin, Mittermaier, Anthony K, Moitessier, Nicolas
Published in European journal of medicinal chemistry (05.02.2022)
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Published in European journal of medicinal chemistry (05.02.2022)
Journal Article