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Nicolas Moitessier

McGill University

39H-index
205Paper Count
5.2KCitation Count
Published Papers 80
Publication Date
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Development of a pKa predictor (pKaLearn) by leveraging teaching experience to improve machine learning
errCommunications Chemistry
IF6.2
err2026-03-26
err0
errOAAI
errJérôme Genzling; Ziling Luo; Benjamin Weiser; Nicolas Moitessier
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α-Ketoamides-based Covalent Inhibitors in Drug Discovery: Current Status and Synthetic Methods
errEuropean Journal of Medicinal Chemistry
IF5.9
err2026-01-05
err0
PREAI
errHo Ying Huang; Nicolas Moitessier
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errSave
Inhibitor-induced dimerization mediates lufotrelvir resistance in mutants of SARS-CoV-2 3C-like protease
errProtein Science
IF5.2
err2025-08-25
err0
errOAAI
errGuanyu Wang; Felipe Venegas; Andres Rueda; Osvaldo Yañez; Manuel I. Osorio; Sibei Qin; José Manuel Pérez-Donoso; Christopher J. Thibodeaux; Nicolas Moitessier; Anthony K. Mittermaier
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A sensitive and scalable fluorescence anisotropy single stranded RNA targeting approach for monitoring riboswitch conformational states
errNUCLEIC ACIDS RESEARCH
IF13.1
err2024-02-20
err2
errOAAI
errRivera, Maira; Ayon, Omma S.; Diaconescu-Grabari, Suzana; Pottel, Joshua; Moitessier, Nicolas; Mittermaier, Anthony; Mckeague, Maureen
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Computational and biophysical methods for the discovery and optimization of covalent drugs
errCHEMICAL COMMUNICATIONS
IF4.2
err2023-01-01
err1
PREAI
errWang, Guanyu; Moitessier, Nicolas; Mittermaier, Anthony K.
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errSave
Machine learning-augmented docking. 1. CYP inhibition prediction
errDIGITAL DISCOVERY
IF5.6
err2023-01-01
err2
errOAAI
errWeiser, Benjamin; Genzling, Jerome; Burai-Patrascu, Mihai; Rostaing, Ophelie; Moitessier, Nicolas
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errSave
14 examples of how LLMs can transform materials science and chemistry: a reflection on a large language model hackathon
errDigital Discovery
IF5.6
err2023-01-01
err55
errOAAI
errJablonka, Kevin Maik; Ai, Qianxiang; Al-Feghali, Alexander; Badhwar, Shruti; Bocarsly, Joshua D.; Bran, Andres M.; Bringuier, Stefan; Brinson, L. Catherine; Choudhary, Kamal; Circi, Defne; Cox, Sam; de Jong, Wibe A.; Evans, Matthew L.; Gastellu, Nicolas; Genzling, Jerome; Gil, Maria Victoria; Gupta, Ankur K.; Hong, Zhi; Imran, Alishba; Kruschwitz, Sabine; Labarre, Anne; Lala, Jakub; Liu, Tao; Ma, Steven; Majumdar, Sauradeep; Merz, Garrett W.; Moitessier, Nicolas; Moubarak, Elias; Mourino, Beatriz; Pelkie, Brenden; Pieler, Michael; Ramos, Mayk Caldas; Rankovic, Bojana; Rodriques, Samuel G.; Sanders, Jacob N.; Schwaller, Philippe; Schwarting, Marcus; Shi, Jiale; Smit, Berend; Smith, Ben E.; Van Herck, Joren; Voelker, Christoph; Ward, Logan; Warren, Sean; Weiser, Benjamin; Zhang, Sylvester; Zhang, Xiaoqi; Zia, Ghezal Ahmad; Scourtas, Aristana; Schmidt, K. J.; Foster, Ian; White, Andrew D.; Blaiszik, Ben
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Modulating the selectivity of inhibitors for prolyl oligopeptidase inhibitors and fibroblast activation protein-? for different indications
errEUROPEAN JOURNAL OF MEDICINAL CHEMISTRY
IF5.9
err2022-10-01
err2
PREAI
errPlescia, Jessica; Hedou, Damien; Pousse, Maud Eva; Labarre, Anne; Dufresne, Caroline; Mittermaier, Anthony; Moitessier, Nicolas
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errSave
A cryptic third active site in cyanophycin synthetase creates primers for polymerization
errNATURE COMMUNICATIONS
IF15.7
err2022-07-07
err13
errOAAI
errSharon, Itai; Pinus, Sharon; Grogg, Marcel; Moitessier, Nicolas; Hilvert, Donald; Schmeing, T. Martin
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errSave
Novel Aurora A and Protein Kinase C (α, β1, β2, and θ) Multitarget Inhibitors: Impact of Selenium Atoms on the Potency and Selectivity
errJOURNAL OF MEDICINAL CHEMISTRY
IF6.8
err2022-02-15
err7
PREAI
errBijian, Krikor; Wernic, Dominik; Nivedha, Anita K.; Su, Jie; Lim, Felicia Phei Lin; Miron, Caitlin E.; Amzil, Hind; Moitessier, Nicolas; Alaoui-Jamali, Moulay A.
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Docking Ligands into Flexible and Solvated Macromolecules. 8. Forming New Bonds-Challenges and Opportunities
errJOURNAL OF CHEMICAL INFORMATION AND MODELING
IF5.3
err2022-02-08
err7
PREAI
errLabarre, Anne; Stille, Julia K.; Patrascu, Mihai Burai; Martins, Andrew; Pottel, Joshua; Moitessier, Nicolas
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Design, synthesis and in vitro evaluation of novel SARS-CoV-2 3CLpro covalent inhibitors
errEUROPEAN JOURNAL OF MEDICINAL CHEMISTRY
IF5.9
err2022-02-01
err62
errOAAI
errStille, Julia K. K.; Tjutrins, Jevgenijs; Wang, Guanyu; Venegas, Felipe A. A.; Hennecker, Christopher; Rueda, Andres M.; Sharon, Itai; Blaine, Nicole; Miron, Caitlin E.; Pinus, Sharon; Labarre, Anne; Plescia, Jessica; Patrascu, Mihai Burai; Zhang, Xiaocong; Wahba, Alexander S.; Vlaho, Danielle; Huot, Mitchell J.; Schmeing, T. Martin; Mittermaier, Anthony K. K.; Moitessier, Nicolas
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errSave
Targeting MYC: From understanding its biology to drug discovery
errEUROPEAN JOURNAL OF MEDICINAL CHEMISTRY
IF5.9
err2021-03-01
err22
PREAI
errRoss, Julie; Miron, Caitlin E.; Plescia, Jessica; Laplante, Patricia; McBride, Kevin; Moitessier, Nicolas; Moroy, Tarik
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Enzyme Kinetics by Isothermal Titration Calorimetry: Allostery, Inhibition, and Dynamics
errFRONTIERS IN MOLECULAR BIOSCIENCES
IF4
err2020-10-19
err48
errOAAI
errWang, Yun; Wang, Guanyu; Moitessier, Nicolas; Mittermaier, Anthony K.
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errSave
Augmented base pairing networks encode RNA-small molecule binding preferences
errNUCLEIC ACIDS RESEARCH
IF13.1
err2020-07-11
err28
errOAAI
errOliver, Carlos; Mallet, Vincent; Gendron, Roman Sarrazin; Reinharz, Vladimir; Hamilton, William L.; Moitessier, Nicolas; Waldispuhl, Jerome
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Use of Extended-Huckel Descriptors for Rapid and Accurate Predictions of Conjugated Torsional Energy Barriers
errJOURNAL OF CHEMICAL INFORMATION AND MODELING
IF5.3
err2020-06-26
err5
PREAI
errWei, Wanlei; Champion, Candide; Barigye, Stephen J.; Liu, Zhaomin; Labute, Paul; Moitessier, Nicolas
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errSave
Design and discovery of boronic acid drugs
errEUROPEAN JOURNAL OF MEDICINAL CHEMISTRY
IF5.9
err2020-06-01
err144
errOAAI
errPlescia, Jessica; Moitessier, Nicolas
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errSave
Discovery of covalent prolyl oligopeptidase boronic ester inhibitors
errEUROPEAN JOURNAL OF MEDICINAL CHEMISTRY
IF5.9
err2020-01-01
err11
errOAAI
errPlescia, Jessica; Dufresne, Caroline; Janmamode, Naela; Wahba, Alexander S.; Mittermaier, Anthony K.; Moitessier, Nicolas
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Atom Type Independent Modeling of the Conformational Energy of Benzylic, Allylic, and Other Bonds Adjacent to Conjugated Systems
errJOURNAL OF CHEMICAL INFORMATION AND MODELING
IF5.3
err2019-10-07
err5
errOAAI
errChampion, Candide; Barigye, Stephen J.; Wei, Wanlei; Liu, Zhaomin; Labute, Paul; Moitessier, Nicolas
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errSave
Torsional Energy Barriers of Biaryls Could Be Predicted by Electron Richness/Deficiency of Aromatic Rings; Advancement of Molecular Mechanics toward Atom-Type Independence
errJOURNAL OF CHEMICAL INFORMATION AND MODELING
IF5.3
err2019-08-20
err9
errOAAI
errWei, Wanlei; Champion, Candide; Liu, Zhaomin; Barigye, Stephen J.; Labute, Paul; Moitessier, Nicolas
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errSave

Research Directions

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Co-authors
Cooperation Journals
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Ian Foster
H-index: 124 · Papers: 1.4K
J
Jean Paul Thiery
H-index: 123 · Papers: 960
B
Berend Smit
H-index: 121 · Papers: 794
C
Chao‐Jun Li
H-index: 114 · Papers: 1.0K
É
Éric Westhof
H-index: 100 · Papers: 652
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