Matthieu Schapira

1 King's College Circle, M5S 1A8
Toronto, ON, Canada

Last Updated: 09/26/2026

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Found 116 publications

Targeting the RNA-Binding Site of SARS-CoV-2 NSP13 by FRASE-bot in CACHE Challenge #2.

Targeting the RNA-Binding Site of SARS-CoV-2 NSP13 by FRASE-bot in CACHE Challenge #2.

Journal: Journal of chemical information and modeling
Published: February 22, 2026

Development of a Dual Chemical Probe for the USP16 and HDAC6 Zinc-Finger Ubiquitin-Binding Domain.

Development of a Dual Chemical Probe for the USP16 and HDAC6 Zinc-Finger Ubiquitin-Binding Domain.

Journal: Journal of medicinal chemistry
Published: February 20, 2026

CACHE Challenge #3: Targeting the Nsp3 Macrodomain of SARS-CoV-2.

CACHE Challenge #3: Targeting the Nsp3 Macrodomain of SARS-CoV-2.

Journal: Journal of chemical information and modeling
Published: January 21, 2026

Structure-based discovery of inhibitors of Mac1 domain of nonstructural protein-3 of SARS-CoV-2 by machine learning-augmented screening of chemical space.

Structure-based discovery of inhibitors of Mac1 domain of nonstructural protein-3 of SARS-CoV-2 by machine learning-augmented screening of chemical space.

Journal: bioRxiv : the preprint server for biology
Published: September 18, 2025

k-Nearest Neighbor Adaptive Sampling, a Simple Tool to Efficiently Explore Conformational Space.

k-Nearest Neighbor Adaptive Sampling, a Simple Tool to Efficiently Explore Conformational Space.

Journal: Journal of chemical theory and computation
Published: August 21, 2025

CACHE Challenge #2: Targeting the RNA Site of the SARS-CoV-2 Helicase Nsp13.

CACHE Challenge #2: Targeting the RNA Site of the SARS-CoV-2 Helicase Nsp13.

Journal: Journal of chemical information and modeling
Published: June 20, 2025

Active Learning-Guided Hit Optimization for the Leucine-Rich Repeat Kinase 2 WDR Domain Based on In Silico Ligand-Binding Affinities.

Active Learning-Guided Hit Optimization for the Leucine-Rich Repeat Kinase 2 WDR Domain Based on In Silico Ligand-Binding Affinities.

Journal: Journal of chemical information and modeling
Published: May 26, 2025

The Need for Continuing Blinded Pose- and Activity Prediction Benchmarks.

The Need for Continuing Blinded Pose- and Activity Prediction Benchmarks.

Journal: Journal of chemical information and modeling
Published: February 14, 2025

Structural Chemistry of Helicase Inhibition.

Structural Chemistry of Helicase Inhibition.

Journal: Journal of medicinal chemistry
Published: February 11, 2025

Enantioselective protein affinity selection mass spectrometry (E-ASMS).

Enantioselective protein affinity selection mass spectrometry (E-ASMS).

Journal: Nature communications
Published: February 06, 2025

Enantioselective Protein Affinity Selection Mass Spectrometry (E-ASMS).

Enantioselective Protein Affinity Selection Mass Spectrometry (E-ASMS).

Journal: bioRxiv : the preprint server for biology
Published: February 03, 2025

Functionally active modulators targeting the LRRK2 WD40 repeat domain identified by FRASE-bot in CACHE Challenge #1.

Functionally active modulators targeting the LRRK2 WD40 repeat domain identified by FRASE-bot in CACHE Challenge #1.

Journal: Chemical science
Published: November 07, 2024
Showing 1-12 of 116

Last Updated: 09/26/2026