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Total posts by Centre National pour la Recherche Scientifique (CNRS): 28
publication
·
1 year ago
A novel codrug made of the combination of ethionamide and its potentiating booster: synthesis, self-assembly into nanoparticles and antimycobacterial evaluation
by
Didier Desmaële
,
Alexandra Pastor
,
Arnaud Machelart
,
Xue Li
,
Nicolas Willand
,
Alain Baulard
,
Priscille Brodin
,
Ruxandra Gref
(
Université Paris-Sud
,
Centre National pour la Recherche Scientifique (CNRS)
,
Université de Lille
)
publication
·
1 year ago
Potent 3-Hydroxy-2-Pyridine Aldoxime Reactivators of Organophosphate-Inhibited Cholinesterases with Predicted Blood–Brain Barrier Penetration
by
Tamara Zorbaz
,
Anissa Braiki
,
Nikola Marakovic
,
Julien Renou
,
Eugenio de la Mora
,
Nikolina Macek Hrvat
,
Maja Katalinic
,
Israel Silman
,
Joel L. Sussman
,
Guillaume Mercey
,
Catherine Gomez
,
Romain Mougeot
,
Beln Prez
,
Rachid Baati
,
Florian Nachon
,
Martin Weik
,
Ludovic Jean
,
Zrinka Kovarik
,
Pierre-Yves Renard
(
Weizmann Institute of Science
,
Centre National pour la Recherche Scientifique (CNRS)
,
University of Barcelona
,
Grenoble Alps University
,
Institute for Medical Research and Occupational Health Zagreb
)
poster
·
1 year ago
Allosteric inhibitors targeting 5’-nucleotidases to restore the antitumor therapy efficacy
by
A. Braka
,
R. Rahimova
,
S. Peyrottes
,
L. P. Jordheim
,
L. Chaloin
(
Centre National pour la Recherche Scientifique (CNRS)
,
Montpellier University
,
University of Lyon
)
publication
·
1 year ago
Integrated Strategy for Lead Optimization Based on Fragment Growing: The Diversity-Oriented-Target-Focused-Synthesis Approach
by
Dragos Horvath
,
Alexandre Varnek
,
Christophe Muller
,
Sébastien Combes
,
Philippe Roche
,
Xavier Morelli
,
Laurent Hoffer
,
Yuliia V. Voitovich
,
Brigitt Raux
,
Aleksey Y. Fedorov
,
Carine Derviaux
,
Agnes Amouric
,
Stephane Betzi
,
Yves Collette
,
Kendall Carrasco
(
Centre National pour la Recherche Scientifique (CNRS)
,
Aix-Marseille University
,
Lobachevsky State University of Nizhni Novgorod
)
poster
·
1 year ago
Deep metabolome annotation and the necessity of a thought experiment
by
Pierre-Marie Allard
,
Jonathan Bisson
,
Alexandre Da Silva
,
Jean-Luc Wolfender
,
Olivier P. Thomas
,
Mehdi Beniddir
,
Grégory Genta-Jouve
(
Université Paris Descartes (Paris 5)
,
University of Illinois at Chicago
,
Centre National pour la Recherche Scientifique (CNRS)
,
University of Geneva
,
National University of Ireland Galway
)
publication
·
2 years ago
Ranking docking poses by graph matching of protein–ligand interactions: lessons learned from the D3R Grand Challenge 2
by
Guillaume Bret
,
Didier Rognan
,
Priscila da Silva Figueiredo Celestino Gomes
,
Franck Da Silva
(
Universidade Federal do Rio de Janeiro
,
Centre National pour la Recherche Scientifique (CNRS)
,
University of Strasbourg
)
publication
·
2 years ago
Synthesis of dihydropyrimidine a,g-diketobutanoic acid derivatives targeting HIV integrase
by
Luigi A. Agrofoglio
,
Ozkan Sari
,
Vincent Roy
,
Mathieu Metifiot
,
Christophe Marchand
,
Yves Pommier
,
Stephane Bourg
,
Pascal Bonnet
,
Raymond F. Schinazi
(
Centre National pour la Recherche Scientifique (CNRS)
,
Emory University School of Medicine
)
publication
·
2 years ago
Hexylacrylate-based mixed-mode monolith, a stationary phase for the nano-HPLC separation of structurally related enkephalins
by
Ayat Abbood
,
Christine Herrenknecht
,
Gaëlle Proczek
,
Stéphanie Descroix
,
Jordi Rodrigo
,
Myriam Taverna
,
Claire Smadja
(
Université Paris-Sud
,
Centre National pour la Recherche Scientifique (CNRS)
)
publication
·
6 years ago
N-Methyldihydroquinazolinone Derivatives of Retro-2 with Enhanced Efficacy against Shiga Toxin
by
Romain Noel
,
Neetu Gupta
,
Valérie Pons
,
Amélie Goudet
,
Maria Daniela Garcia-Castillo
,
Aurélien Michau
,
Jennifer Martinez
,
David-Alexandre Buisson
,
Ludger Johannes
,
Daniel Gillet
,
Julien Barbier
,
Jean-Christophe Cintrat
(
Centre National pour la Recherche Scientifique (CNRS)
,
LabEx LERMIT
)
presentation
·
7 years ago
Developing new stuff on a solid basis: Academic applications of the ChemAxon API
by
Dragos Horvath
(
Université de Strasbourg
,
Centre National pour la Recherche Scientifique (CNRS)
)
publication
·
7 years ago
Antitumor Activity of Pyridocarbazole and Benzopyridoindole Derivatives that Inhibit Protein Kinase CK2
by
Renaud Prudent
,
Virginie Moucadel
,
Caroline Barette
,
Frederic Schmidt
,
Claude Cochet
,
Jean-Claude Florent
,
Laurence Lafanechère
,
Jean-Baptiste Reiser
,
Chi-Hung Nguyen
,
Céline F Sautel
,
Eve Duchemin-Pelletier
,
Elodie Spreux
,
Odile Filhol
(
Centre National pour la Recherche Scientifique (CNRS)
,
Institut National de la Santé et de la Recherche Médicale (INSERM)
,
Commissariat à l’énergie atomique (CEA)
,
Université Joseph Fourier
)
publication
·
7 years ago
New potent dual inhibitors of CK2 and Pim kinases: Discovery and structural insight
by
Renaud Prudent
,
Virginie Moucadel
,
Liliane Mouawad
,
Caroline Barette
,
Frederic Schmidt
,
Claude Cochet
,
Miriam López-Ramos
,
David Grierson
,
Jean-Claude Florent
,
Laurence Lafanechère
,
Jean-Baptiste Reiser
,
Céline F Sautel
,
Panagis Filippakopoulos
,
Alex N. Bullock
,
Stefan Knapp
(
University of Oxford
,
Université Paris-Sud
,
Centre National pour la Recherche Scientifique (CNRS)
,
Unité Mixte de Recherche
,
Institut National de la Santé et de la Recherche Médicale (INSERM)
,
Commissariat à l’énergie atomique (CEA)
,
Partnership for Structural Biology
,
Université Joseph Fourier
,
Institut de Biologie Structurale Jean-Pierre Ebel (IBS)
,
Institut Curie
)
presentation
·
7 years ago
Dealing with 'exotic' similarity metrics - live on the Web
by
Dragos Horvath
(
Université de Strasbourg
,
Centre National pour la Recherche Scientifique (CNRS)
)
presentation
·
7 years ago
French Academic Compound Library: the "Chimiothèque Nationale"
by
Anh Kiet Tran Minh
(
Centre National pour la Recherche Scientifique (CNRS)
)
publication
·
8 years ago
Solvation Parameters of Solutes: An Attempt of Improvements in Characterization and Determination
by
Paul Laffort
,
Pierre Héricourt
(
Centre National pour la Recherche Scientifique (CNRS)
)
presentation
·
8 years ago
The ScreenDB Virtual Screening Platform - Latest News
by
Dragos Horvath
(
Université de Strasbourg
,
Centre National pour la Recherche Scientifique (CNRS)
)
publication
·
9 years ago
Synthesis and Antiprotozoal Activity of N-Alkoxy Analogues of the Trypanocidal Lead Compound 4,4'-Bis(imidazolinylamino)diphenylamine with Improved Human Blood-Brain Barrier Permeability
by
Reto Brun
,
Lidia Nieto
,
Ainhoa Mascaraque
,
Florence Miller
,
Fabienne Glacial
,
Carlos Rios Martinez
,
Marcel Kaiser
,
Christophe Dardonville
(
University of Basel
,
Université Paris Descartes (Paris 5)
,
Instituto de Química Médica - CSIC
,
Centre National pour la Recherche Scientifique (CNRS)
,
Institut National de la Santé et de la Recherche Médicale (INSERM)
,
Swiss Tropical and Public Health Institute
)
publication
·
9 years ago
Managing, profiling and analyzing a library of 2.6 million compounds gathered from 32 chemical providers
by
Alban Arrault
,
Aurelien Monge
,
Christophe Marot
,
Luc Morin-Allory
(
Université d'Orléans
,
Centre National pour la Recherche Scientifique (CNRS)
)
publication
·
9 years ago
Anionic pH-sensitive pegylated lipoplexes to deliver DNA to tumors
by
Nathalie Mignet
,
Daniel Scherman
,
Cyrille Richard
,
Johanne Seguin
,
Celine Largeau
,
Michel Bessodes
(
École Nationale Supérieure de Chimie de Paris
,
Université Paris Descartes (Paris 5)
,
Centre National pour la Recherche Scientifique (CNRS)
,
Institut National de la Santé et de la Recherche Médicale (INSERM)
)
publication
·
9 years ago
Solvation Parameters. 2. A Simplified Molecular Topology to Generate Easily Optimized Values
by
Paul Laffort
,
Pierre Héricourt
(
Centre National pour la Recherche Scientifique (CNRS)
)
publication
·
9 years ago
Predicting the Predictability: A Unified Approach to the Applicability Domain Problem of QSAR Models
by
Dragos Horvath
,
Gilles Marcou
,
Alexandre Varnek
(
Université de Strasbourg
,
Centre National pour la Recherche Scientifique (CNRS)
)
poster
·
9 years ago
Predictive models to detect incorrect atom-atom mapping of reactions using condensed graph of reactions
by
Gilles Marcou
,
Alexandre Varnek
,
Christophe Muller
(
Université de Strasbourg
,
Centre National pour la Recherche Scientifique (CNRS)
)
presentation
·
9 years ago
Interactive structure standardization
by
Dragos Horvath
(
Université de Strasbourg
,
Centre National pour la Recherche Scientifique (CNRS)
)
presentation
·
10 years ago
Pharmacophore and physico-chemical property-colored fragmental descriptors
by
Dragos Horvath
,
Fiorella Ruggiu
,
Gilles Marcou
,
Alexandre Varnek
(
Université de Strasbourg
,
Centre National pour la Recherche Scientifique (CNRS)
)
featured
presentation
·
12 years ago
VSEngine - Similarity & Property prediction based Virtual Screening Web Services
by
Dragos Horvath
(
Université de Strasbourg
,
Centre National pour la Recherche Scientifique (CNRS)
)
presentation
·
13 years ago
Determination of solvation parameters using MarvinSketch
by
Paul Laffort
(
Université de Strasbourg
,
Centre National pour la Recherche Scientifique (CNRS)
)
presentation
·
13 years ago
[email protected]
Web Portal for Massively Parallel Flexible Docking, using the ChemAxon Toolkit
by
Dragos Horvath
(
Université de Strasbourg
,
Centre National pour la Recherche Scientifique (CNRS)
)
presentation
·
14 years ago
pH-dependent Topological Fuzzy Pharmacophore Triplets
by
Dragos Horvath
(
Université de Strasbourg
,
Centre National pour la Recherche Scientifique (CNRS)
)