Faculty profile

Nicolas Moitessier

ResearcherChemistryMcGill University

This profile is built from public research funding records (CIHR, NSERC and SSHRC) and PubMed. We have not imported them from a McGill University directory, so their courses may be missing. Find their university profile.

Nicolas Moitessier

Researcher

Chemistry

Health Sciences

McGill University

Montreal, Quebec, Canada

Supervision signals

Has led research grants, which requires an independent research appointment. Ask their department whether they supervise graduate students.
15 publications in the last five years, latest in 2026.
Senior (last) author on 6 recent papers, a sign of leading a research group.
Principal investigator on 21 research grants (15 NSERC, 6 CIHR), most recently in 2025.

These signals come from public records, including CIHR, NSERC and SSHRC funding decisions. Ask the professor or the graduate program whether they are taking new students.

Academic metrics

Publications

Collaborators

Grants

Publications by year

Counts cover the publications linked to this profile. Citations and the h-index appear when the source records them.

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Signals and details

Research

Antiviral Covalent Inhibitors Sars-Cov-2 3cl Protease Alpha-Synuclein Aggregation Disease Modifying Therapy Parkinson'S Disease Therapeutics 14-3-3 Protein

Latest papers

Integration of computational and experimental techniques for the discovery of PLpro covalent inhibitors. When large virtual screening and rational design meet.
European journal of medicinal chemistry · 2026 · senior author
Development of a pKa predictor (pKaLearn) by leveraging teaching experience to improve machine learning.
Communications chemistry · 2026 · senior author
α-Ketoamides-based covalent inhibitors in drug discovery: Current status and synthetic methods.
European journal of medicinal chemistry · 2026 · senior author

All 77 publications

Latest funding

Machine learning models for the design of RNA therapeutics: Experimental data and computational techniques
NSERC · 2025 · Principal investigator
$272,000
Exploring strategies for the design of selective kinase inhibitors
NSERC · 2024 · Principal investigator
$50,667
Advancing POP inhibitors as potential Parkinson's disease therapeutics
CIHR · 2024 · Nominated PI
$1,067,176

All 25 grants and awards

77 publications.

Integration of computational and experimental techniques for the discovery of PLpro covalent inhibitors. When large virtual screening and rational design meet.

Huang HY, Pinus S, Zhang X, Wang G, Broquière M, Boulon R, Rueda AM, Souaibou Y, Huck S, Huot M, Vlaho D, Pottel J, Venegas FA, Lu Z, Hennecker C, Stille J, Tjutrins J, Miron CE, Labarre A, Plescia J, Burai-Patrascu M, Laplante S, Chatel-Chaix L, Mittermaier AK, Moitessier N

European journal of medicinal chemistry2026Senior author

DOI: 10.1016/j.ejmech.2026.118698 PMID: 41740581

Development of a pKa predictor (pKaLearn) by leveraging teaching experience to improve machine learning.

Genzling J, Luo Z, Weiser B, Moitessier N

Communications chemistry2026Senior author

DOI: 10.1038/s42004-026-01983-y PMID: 41882348

α-Ketoamides-based covalent inhibitors in drug discovery: Current status and synthetic methods.

Huang HY, Moitessier N

European journal of medicinal chemistry2026Senior author

DOI: 10.1016/j.ejmech.2026.118558 PMID: 41544582

Inhibitor-induced dimerization mediates lufotrelvir resistance in mutants of SARS-CoV-2 3C-like protease.

Wang G, Venegas F, Rueda A, Yañez O, Osorio MI, Qin S, Pérez-Donoso JM, Thibodeaux CJ, Moitessier N, Mittermaier AK

Protein science : a publication of the Protein Society2025

DOI: 10.1002/pro.70275 PMID: 40852870

Mechanistic Characterization of Covalent Enzyme Inhibition by Isothermal Titration Calorimetry Kinetic Competition (ITC-KC).

Hennecker C, Venegas F, Wang G, Stille J, Milaczewska A, Moitessier N, Mittermaier A

Analytical chemistry2025

DOI: 10.1021/acs.analchem.4c04003 PMID: 40106584

A sensitive and scalable fluorescence anisotropy single stranded RNA targeting approach for monitoring riboswitch conformational states.

Rivera M, Ayon OS, Diaconescu-Grabari S, Pottel J, Moitessier N, Mittermaier A, McKeague M

Nucleic acids research2024

DOI: 10.1093/nar/gkae118 PMID: 38375901

A naturally occurring G11S mutation in the 3C-like protease from the SARS-CoV-2 virus dramatically weakens the dimer interface.

Wang G, Venegas FA, Rueda AM, Weerasinghe NW, Uggowitzer KA, Thibodeaux CJ, Moitessier N, Mittermaier AK

Protein science : a publication of the Protein Society2024

DOI: 10.1002/pro.4857 PMID: 38058248

14 examples of how LLMs can transform materials science and chemistry: a reflection on a large language model hackathon.

Jablonka KM, Ai Q, Al-Feghali A, Badhwar S, Bocarsly JD, Bran AM, Bringuier S, Brinson LC, Choudhary K, Circi D, Cox S, de Jong WA, Evans ML, Gastellu N, Genzling J, Gil MV, Gupta AK, Hong Z, Imran A, Kruschwitz S, Labarre A, Lála J, Liu T, Ma S, Majumdar S, Merz GW, Moitessier N, Moubarak E, Mouriño B, Pelkie B, Pieler M, Ramos MC, Ranković B, Rodriques SG, Sanders JN, Schwaller P, Schwarting M, Shi J, Smit B, Smith BE, Van Herck J, Völker C, Ward L, Warren S, Weiser B, Zhang S, Zhang X, Zia GA, Scourtas A, Schmidt KJ, Foster I, White AD, Blaiszik B

Digital discovery2023

DOI: 10.1039/d3dd00113j PMID: 38013906

Computational and biophysical methods for the discovery and optimization of covalent drugs.

Wang G, Moitessier N, Mittermaier AK

Chemical communications (Cambridge, England)2023

DOI: 10.1039/d3cc03285j PMID: 37609777

Structural Polymorphism of Guanine Quadruplex-Containing Regions in Human Promoters.

Hennecker C, Yamout L, Zhang C, Zhao C, Hiraki D, Moitessier N, Mittermaier A

International journal of molecular sciences2022

DOI: 10.3390/ijms232416020 PMID: 36555662

Machine learning models for the design of RNA therapeutics: Experimental data and computational techniques

Principal investigatorNSERC2025Advantage

Principal investigators: Moitessier, Nicolas

Keywords: Human pharmaceuticals

$272,000

Exploring strategies for the design of selective kinase inhibitors

Principal investigatorNSERC2024Alliance Grants

Principal investigators: Moitessier, Nicolas NRF

Keywords: covalent inhibitors; kinase inhibitors; macrocycles; medicinal chemistry; selectivity

$50,667

Advancing POP inhibitors as potential Parkinson's disease therapeutics

Nominated PICIHR2024Project Grant

Principal investigators: Moitessier, Nicolas R

Keywords: Alpha-Synuclein Aggregation; Disease Modifying Therapy; Parkinson'S Disease; Therapeutics

$1,067,176

Structural studies and development of chemical probes for PINK1, a mitochondrial ubiquitin kinase implicated in Parkinson's disease

Co-investigatorCIHR2022Project Grant

Principal investigators: Trempe, Jean-François

Keywords: Cryoelectron Microscopy; Drug Design; Kinase; Mass Spectrometry; Mitochondria; Parkinson'S Disease; Phosphorylation; Pink1; Ubiquitin; X-Ray Crystallography

$967,725

Integrating innovative computational and organic synthesis for efficient asymmetric catalyst discovery

Principal investigatorNSERC2022Discovery Grants Program - Individual

Principal investigators: Moitessier, Nicolas

$144,000

A Genome-Wide Approach for Restoring Antibiotic Susceptibility to Drug-Resistant Mycobacterium tuberculosis.

Co-investigatorCIHR2022Project Grant - Priority Announcement: Infection and Immunity

Principal investigators: Reed, Michael B

Keywords: Antimicrobial Resistance; Bacterial Genetics; Bioinformatics; Drug Screening; Genomics; Medicinal Chemistry; Molecular Microbiology; Mycobacterium Tuberculosis; Tuberculosis

$100,000

COVID-19 Variant Supplement - Development of COVID-2019 main protease inhibitors as potential antivirals against the 2019 coronavirus.

Nominated PICIHR2021Operating Grant: SARS-CoV-2 variants supplement stream 1

Principal investigators: Moitessier, Nicolas R; Mittermaier, Anthony

Keywords: Antiviral; Covalent Inhibitors; Sars-Cov-2 3cl Protease

$50,000

Development of COVID-2019 main protease inhibitors as potential antivirals against the 2019 coronavirus.

Nominated PICIHR2020Operating Grant: COVID-19 - Therapeutics

Principal investigators: Moitessier, Nicolas R; Mittermaier, Anthony

Keywords: Antiviral; Covalent Inhibitors; Sars-Cov-2 3cl Protease

$203,000

Development of Efficient Molecular Mechanics Methods for Application in Drug Discovery and Design._x000d_

Principal investigatorNSERC2020Alliance Grants

Principal investigators: Moitessier, Nicolas

$63,000

Development of 14-3-3 protein/protein interaction agonists as potential therapies for spinal cord injury and stroke

Principal investigatorCIHR2019Project Grant

Principal investigators: Gleason, James L; Fournier, Alyson Elise; Mittermaier, Anthony; Moitessier, Nicolas R

Keywords: 14-3-3 Protein; Fusiccocin A; Gcn1; Protein/Protein Interaction; Virtual Screening

$286,875

From CIHR, NSERC and SSHRC funding decisions: CIHR since 2008, NSERC since 1991 and SSHRC since 1998, including their latest published competition results.

Write to this professor

A short, specific email works best. This draft uses one of their recent papers; replace the parts in brackets with your own details before sending.

Applying for

Paper to mentionMention their NSERC grant from 2025

Subject: Prospective PhD student: Antiviral Dear Professor Moitessier, My name is [your name], and I am a [your current degree or role] at [your institution]. I am applying for a PhD position starting in [term and year]. I read your paper "Integration of computational and experimental techniques for the discovery of PLpro covalent inhibitors. When large virtual screening and rational design meet." (2026), and it connects closely to my own work on [your research topic]. [One or two sentences on what you did and what you learned.] I also saw your NSERC-funded project "Machine learning models for the design of RNA therapeutics: Experimental data and computational techniques" (2025), and I would be glad to contribute to work in that direction. Are you accepting new PhD students for [term and year]? I have attached my CV and transcripts, and I would be glad to talk at a time that suits you. Thank you for your time. Kind regards, [your name]

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Nicolas Moitessier

Research

Latest papers

Latest funding

Integration of computational and experimental techniques for the discovery of PLpro covalent inhibitors. When large virtual screening and rational design meet.

Development of a pKa predictor (pKaLearn) by leveraging teaching experience to improve machine learning.

α-Ketoamides-based covalent inhibitors in drug discovery: Current status and synthetic methods.

Inhibitor-induced dimerization mediates lufotrelvir resistance in mutants of SARS-CoV-2 3C-like protease.

Mechanistic Characterization of Covalent Enzyme Inhibition by Isothermal Titration Calorimetry Kinetic Competition (ITC-KC).

A sensitive and scalable fluorescence anisotropy single stranded RNA targeting approach for monitoring riboswitch conformational states.

A naturally occurring G11S mutation in the 3C-like protease from the SARS-CoV-2 virus dramatically weakens the dimer interface.

14 examples of how LLMs can transform materials science and chemistry: a reflection on a large language model hackathon.

Computational and biophysical methods for the discovery and optimization of covalent drugs.

Structural Polymorphism of Guanine Quadruplex-Containing Regions in Human Promoters.

Machine learning models for the design of RNA therapeutics: Experimental data and computational techniques

Exploring strategies for the design of selective kinase inhibitors

Advancing POP inhibitors as potential Parkinson's disease therapeutics

Structural studies and development of chemical probes for PINK1, a mitochondrial ubiquitin kinase implicated in Parkinson's disease

Integrating innovative computational and organic synthesis for efficient asymmetric catalyst discovery

A Genome-Wide Approach for Restoring Antibiotic Susceptibility to Drug-Resistant Mycobacterium tuberculosis.

COVID-19 Variant Supplement - Development of COVID-2019 main protease inhibitors as potential antivirals against the 2019 coronavirus.

Development of COVID-2019 main protease inhibitors as potential antivirals against the 2019 coronavirus.

Development of Efficient Molecular Mechanics Methods for Application in Drug Discovery and Design._x000d_

Development of 14-3-3 protein/protein interaction agonists as potential therapies for spinal cord injury and stroke

Frequent collaborators

Anthony Mittermaier

Karine Auclair

Derek Bowie

Chantal Autexier

Laurent Chatel-Chaix

Maureen McKeague

Moshe Szyf

Sylvie Mader

Sylvie Mader

Hanadi Sleiman

Nicolas Moitessier

Research

Latest papers

Latest funding

Integration of computational and experimental techniques for the discovery of PLpro covalent inhibitors. When large virtual screening and rational design meet.

Development of a pKa predictor (pKaLearn) by leveraging teaching experience to improve machine learning.

&#x3b1;-Ketoamides-based covalent inhibitors in drug discovery: Current status and synthetic methods.

Inhibitor-induced dimerization mediates lufotrelvir resistance in mutants of SARS-CoV-2 3C-like protease.

Mechanistic Characterization of Covalent Enzyme Inhibition by Isothermal Titration Calorimetry Kinetic Competition (ITC-KC).

A sensitive and scalable fluorescence anisotropy single stranded RNA targeting approach for monitoring riboswitch conformational states.

A naturally occurring G11S mutation in the 3C-like protease from the SARS-CoV-2 virus dramatically weakens the dimer interface.

14 examples of how LLMs can transform materials science and chemistry: a reflection on a large language model hackathon.

Computational and biophysical methods for the discovery and optimization of covalent drugs.

Structural Polymorphism of Guanine Quadruplex-Containing Regions in Human Promoters.

Machine learning models for the design of RNA therapeutics: Experimental data and computational techniques

Exploring strategies for the design of selective kinase inhibitors

Advancing POP inhibitors as potential Parkinson's disease therapeutics

Structural studies and development of chemical probes for PINK1, a mitochondrial ubiquitin kinase implicated in Parkinson's disease

Integrating innovative computational and organic synthesis for efficient asymmetric catalyst discovery

A Genome-Wide Approach for Restoring Antibiotic Susceptibility to Drug-Resistant Mycobacterium tuberculosis.

COVID-19 Variant Supplement - Development of COVID-2019 main protease inhibitors as potential antivirals against the 2019 coronavirus.

Development of COVID-2019 main protease inhibitors as potential antivirals against the 2019 coronavirus.

Development of Efficient Molecular Mechanics Methods for Application in Drug Discovery and Design._x000d_

Development of 14-3-3 protein/protein interaction agonists as potential therapies for spinal cord injury and stroke

Frequent collaborators

Anthony Mittermaier

Karine Auclair

Derek Bowie

Chantal Autexier

Laurent Chatel-Chaix

Maureen McKeague

Moshe Szyf

Sylvie Mader

Sylvie Mader

Hanadi Sleiman

α-Ketoamides-based covalent inhibitors in drug discovery: Current status and synthetic methods.