Publications by authors named "Nicolas Moitessier"

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Inhibitor-induced dimerization mediates lufotrelvir resistance in mutants of SARS-CoV-2 3C-like protease.
Guanyu Wang, Felipe Venegas, Andres Rueda, Osvaldo Yañez, Manuel I Osorio, Nicolas Moitessier

Protein Sci· September 2025

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Mechanistic Characterization of Covalent Enzyme Inhibition by Isothermal Titration Calorimetry Kinetic Competition (ITC-KC).
Christopher Hennecker, Felipe Venegas, Guanyu Wang, Julia Stille, Anna Milaczewska, Nicolas Moitessier

Anal Chem· April 2025

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A sensitive and scalable fluorescence anisotropy single stranded RNA targeting approach for monitoring riboswitch conformational states.
Maira Rivera, Omma S Ayon, Suzana Diaconescu-Grabari, Joshua Pottel, Nicolas Moitessier

Nucleic Acids Res· April 2024

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A naturally occurring G11S mutation in the 3C-like protease from the SARS-CoV-2 virus dramatically weakens the dimer interface.
Guanyu Wang, Felipe A Venegas, Andres M Rueda, Nuwani W Weerasinghe, Kevin A Uggowitzer, Nicolas Moitessier

Protein Sci· January 2024

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14 examples of how LLMs can transform materials science and chemistry: a reflection on a large language model hackathon.
Kevin Maik Jablonka, Qianxiang Ai, Alexander Al-Feghali, Shruti Badhwar, Joshua D Bocarsly, Nicolas Moitessier

Digit Discov· October 2023

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Computational and biophysical methods for the discovery and optimization of covalent drugs.
Guanyu Wang, Nicolas Moitessier, Anthony K Mittermaier

Chem Commun (Camb)· September 2023

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Structural Polymorphism of Guanine Quadruplex-Containing Regions in Human Promoters.
Christopher Hennecker, Lynn Yamout, Chuyang Zhang, Chenzhi Zhao, David Hiraki, Nicolas Moitessier

Int J Mol Sci· December 2022

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Modulating the selectivity of inhibitors for prolyl oligopeptidase inhibitors and fibroblast activation protein-α for different indications.
Jessica Plescia, Damien Hédou, Maud Eva Pousse, Anne Labarre, Caroline Dufresne, Nicolas Moitessier

Eur J Med Chem· October 2022

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A cryptic third active site in cyanophycin synthetase creates primers for polymerization.
Itai Sharon, Sharon Pinus, Marcel Grogg, Nicolas Moitessier, Donald Hilvert

Nat Commun· July 2022

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Editorial.
Nicolas Moitessier, James Nowick

Eur J Med Chem· June 2022

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Design, synthesis and in vitro evaluation of novel SARS-CoV-2 3CL covalent inhibitors.
Julia K Stille, Jevgenijs Tjutrins, Guanyu Wang, Felipe A Venegas, Christopher Hennecker, Nicolas Moitessier

Eur J Med Chem· February 2022

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Docking Ligands into Flexible and Solvated Macromolecules. 8. Forming New Bonds─Challenges and Opportunities.
Anne Labarre, Julia K Stille, Mihai Burai Patrascu, Andrew Martins, Joshua Pottel, Nicolas Moitessier

J Chem Inf Model· February 2022

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Novel Aurora A and Protein Kinase C (α, β1, β2, and θ) Multitarget Inhibitors: Impact of Selenium Atoms on the Potency and Selectivity.
Krikor Bijian, Dominik Wernic, Anita K Nivedha, Jie Su, Felicia Phei Lin Lim, Nicolas Moitessier

J Med Chem· February 2022

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Targeting MYC: From understanding its biology to drug discovery.
Julie Ross, Caitlin E Miron, Jessica Plescia, Patricia Laplante, Kevin McBride, Nicolas Moitessier

Eur J Med Chem· March 2021

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Mutations in Dynamic Structural Elements Alter the Kinetics and Fidelity of the Multifunctional Class II Lanthipeptide Synthetase, HalM2.
Kevin A Uggowitzer, Yeganeh Habibi, Wanlei Wei, Nicolas Moitessier, Christopher J Thibodeaux

Biochemistry· February 2021

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Enzyme Kinetics by Isothermal Titration Calorimetry: Allostery, Inhibition, and Dynamics.
Yun Wang, Guanyu Wang, Nicolas Moitessier, Anthony K Mittermaier

Front Mol Biosci· October 2020

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Augmented base pairing networks encode RNA-small molecule binding preferences.
Carlos Oliver, Vincent Mallet, Roman Sarrazin Gendron, Vladimir Reinharz, William L Hamilton, Nicolas Moitessier

Nucleic Acids Res· August 2020

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Use of Extended-Hückel Descriptors for Rapid and Accurate Predictions of Conjugated Torsional Energy Barriers.
Wanlei Wei, Candide Champion, Stephen J Barigye, Zhaomin Liu, Paul Labute, Nicolas Moitessier

J Chem Inf Model· July 2020

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Design and discovery of boronic acid drugs.
Jessica Plescia, Nicolas Moitessier

Eur J Med Chem· June 2020

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Discovery of covalent prolyl oligopeptidase boronic ester inhibitors.
Jessica Plescia, Caroline Dufresne, Naëla Janmamode, Alexander S Wahba, Anthony K Mittermaier, Nicolas Moitessier

Eur J Med Chem· January 2020

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Torsional Energy Barriers of Biaryls Could Be Predicted by Electron Richness/Deficiency of Aromatic Rings; Advancement of Molecular Mechanics toward Atom-Type Independence.
Wanlei Wei, Candide Champion, Zhaomin Liu, Stephen J Barigye, Paul Labute, Nicolas Moitessier

J Chem Inf Model· November 2019

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Atom Type Independent Modeling of the Conformational Energy of Benzylic, Allylic, and Other Bonds Adjacent to Conjugated Systems.
Candide Champion, Stephen J Barigye, Wanlei Wei, Zhaomin Liu, Paul Labute, Nicolas Moitessier

J Chem Inf Model· November 2019

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Integrated Synthetic, Biophysical, and Computational Investigations of Covalent Inhibitors of Prolyl Oligopeptidase and Fibroblast Activation Protein α.
Jessica Plescia, Stéphane De Cesco, Mihai Burai Patrascu, Jerry Kurian, Justin Di Trani, Nicolas Moitessier

J Med Chem· September 2019

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Predicting Positions of Bridging Water Molecules in Nucleic Acid-Ligand Complexes.
Wanlei Wei, Jiaying Luo, Jérôme Waldispühl, Nicolas Moitessier

J Chem Inf Model· June 2019

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Challenges and current status of computational methods for docking small molecules to nucleic acids.
Jiaying Luo, Wanlei Wei, Jérôme Waldispühl, Nicolas Moitessier

Eur J Med Chem· April 2019

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