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Nicolas Moitessier

26PUBLICATIONS

73CO-AUTHORS

Semi- and unsupervised learningCheminformatics and quantitative structure-activity relationshipsBiologically active moleculesColloid and surface chemistryComputer aided design

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Publications (26)

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|Mar 26, 2026

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

Jérôme Genzling, Ziling Luo, Benjamin Weiser

|Aug 25, 2025

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

Guanyu Wang, Felipe Venegas, Andres Rueda

|Mar 19, 2025

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

Christopher Hennecker, Felipe Venegas, Guanyu Wang

|Feb 20, 2024

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

Maira Rivera, Omma S Ayon, Suzana Diaconescu-Grabari

|Dec 07, 2023

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

|Nov 28, 2023

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

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Frequent Collaborators

6 joint publications

Anthony Mittermaier

5 joint publications

Wanlei Wei

4 joint publications

Masad J Damha

4 joint publications

Stephen J Barigye

3 joint publications

Justin M Di Trani

3 joint publications

Christopher J Thibodeaux

3 joint publications

Guanyu Wang

2 joint publications

Joshua Pottel

2 joint publications

Jerome Genzling

1 joint publications

Karine Auclair

Frequent Collaborators

6 joint publications

Anthony Mittermaier

5 joint publications

Wanlei Wei

4 joint publications

Masad J Damha

4 joint publications

Stephen J Barigye

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