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6 results in Authors: Arnaud Mary

Biological and Medicinal Chemistry

Application of the RDF framework to integrate heterogenous experimental data of a large chemo- and biodiverse collection from a research collaborative project

Frédéric Burdet, Pierre-Marie Allard, Louis-Felix Nothias, Olivier Kirchhoffer, Arnaud Gaudry, Sebastien Moretti, Robin Engler, Luis-Manuel Quiros-Guerrero, Emerson Ferreira Queiroz, Jahn Nitschke, Nabil Hanna, Chunyan Wu, Antonio Grondin, Bruno David, Thierry Soldati, Christian Wolfrum, Erick Carreira, Jean-Luc Wolfender, Marco Pagni, Florence Mehl

Version 1 posted 28 November 2023

152

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Organic Chemistry

A Sample-Centric and Knowledge-Driven Computational Framework for Natural Products Drug Discovery

Arnaud Gaudry, Marco Pagni, Florence Mehl, Sébastien Moretti, Luis-Manuel Quiros-Guerrero, Luca Cappelletti, Adriano Rutz, Marcel Kaiser, Laurence Marcourt, Emerson Ferreira Queiroz, Jean-Robert Ioset, Antonio Grondin, Bruno David, Jean-Luc Wolfender, Pierre-Marie Allard

Version 2 posted 12 December 2023

1,640

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Theoretical and Computational Chemistry

Deep Generative Models for Ligand-based de Novo Design Applied to Multi-parametric Optimization

Quentin Perron, Olivier Mirguet, Hamza Tajmouati, Adam Skiredj, Anne Rojas, Arnaud Gohier, Pierre Ducrot, Marie-Pierre Bourguignon, Patricia Sansilvestri-Morel, Nicolas Do Huu, Françoise Gellibert, Yann Gaston-Mathé

Version 2 posted 25 January 2021

2,278

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3

Citations

Organic Chemistry

Efficient Constitution of a Library of Rotenoid Analogs Active against Trypanosoma cruzi from a Digitalized Plant Extract Collection

Arnaud Gaudry, Laurence Marcourt, Marcel Kaiser, Julien Flückiger, Bruno David, Antonio Grondin, Jean-Robert Ioset, Pascal Mäser, Emerson Ferreira Queiroz, Pierre-Marie Allard, Jean-Luc Wolfender

Version 3 posted 24 October 2024

166

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Biological and Medicinal Chemistry

Can Small Molecules Provide Clues on Disease Progression in Cerebrospinal Fluid from Mild Cognitive Impairment and Alzheimer’s Disease Patients?

Begoña Talavera Andújar, Arnaud Mary, Carmen Venegas, Tiejun Cheng, Leonid Zaslavsky, Evan Bolton, Michael Heneka, Emma Schymanski

Version 3 posted 25 January 2024

426

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Materials Chemistry

Citric, Tartaric, and Succinic Acid Effects on C3S Dissolution and the Nucleation Kinetics of C-S-H and Portlandite

Andreas Vohburger, Marie Collin, Arnaud Bouissonnié, Torben Gädt

Version 1 posted 24 September 2024

97

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