Esther Kellenberger

Loop profile ORCID

Publication Activity (10 Years)

Years Active: 2017-2024
Publications (10 Years): 18

Top Topics

Molecular Dynamics

Top Venues

Journal of chemical information and modeling

Molecular informatics

Journal of medicinal chemistry

Science signaling

This page only lists publications with an associated author ORCID identifier.

Publications

Lauri Urvas, Luca Chiesa, Guillaume Bret, Célien Jacquemard, Esther Kellenberger
Benchmarking AlphaFold-Generated Structures of Chemokine-Chemokine Receptor Complexes. Journal of chemical information and modeling 64 (11) (2024)
Julia Revillo Imbernon, Jean-Marc Weibel, Eric Ennifar, Gilles Prévost, Esther Kellenberger
Structural analysis of neomycin B and kanamycin A binding Aminoglycosides Modifying Enzymes (AME) and bacterial ribosomal RNA. Molecular informatics 43 (7) (2024)
Lauri Urvas, Luca Chiesa, Guillaume Bret, Célien Jacquemard, Esther Kellenberger
Benchmarking AlphaFold-Generated Structures of Chemokine-Chemokine Receptor Complexes. Journal of chemical information and modeling (2024)
Teodora Djikic-Stojsic, Guillaume Bret, Gaëlle Blond, Nicolas Girard, Clothilde Le Guen, Claire Marsol, Martine Schmitt, Séverine Schneider, Frederic Bihel, Dominique Bonnet, Mihaela Gulea, Esther Kellenberger
The IMS Library: from IN-Stock to Virtual. ChemMedChem (2024)
Julia Revillo Imbernon, Jean-Marc Weibel, Eric Ennifar, Gilles Prévost, Esther Kellenberger
Structural analysis of neomycin B and kanamycin A binding Aminoglycosides Modifying Enzymes (AME) and bacterial ribosomal RNA. Molecular informatics (2024)
Lauri Urvas, Esther Kellenberger
Structural Insights into Molecular Recognition and Receptor Activation in Chemokine-Chemokine Receptor Complexes. Journal of medicinal chemistry (2023)
Célien Jacquemard, Florian Koensgen, Philippe Colin, Bernard Lagane, Esther Kellenberger
Modeling of CCR5 Recognition by HIV-1 gp120: How the Viral Protein Exploits the Conformational Plasticity of the Coreceptor. Viruses 13 (7) (2021)
Julia Revillo Imbernon, Célien Jacquemard, Guillaume Bret, Gilles Marcou, Esther Kellenberger
Comprehensive analysis of commercial fragment libraries. RSC medicinal chemistry 13 (3) (2021)
Michael D Schultz, Tulin Dadali, Sylvain A Jacques, Hélène Muller-Steffner, Jeremy B Foote, Leonardo Sorci, Esther Kellenberger, Davide Botta, Frances E Lund
Inhibition of the NAD salvage pathway in schistosomes impairs metabolism, reproduction, and parasite survival. PLoS pathogens 16 (5) (2020)
Miaomiao Liu, Peter Karuso, Yunjiang Feng, Esther Kellenberger, Fei Liu, Can Wang, Ronald J Quinn
Is it time for artificial intelligence to predict the function of natural products based on 2D-structure. MedChemComm 10 (10) (2019)
Florian Koensgen, Franck Da Silva, Didier Rognan, Esther Kellenberger
Unsupervised Classification of G-Protein Coupled Receptors and Their Conformational States Using IChem Intramolecular Interaction Patterns. Journal of chemical information and modeling 59 (9) (2019)
Célien Jacquemard, Malgorzata N Drwal, Jérémy Desaphy, Esther Kellenberger
Binding mode information improves fragment docking. Journal of cheminformatics 11 (1) (2019)
Célien Jacquemard, Viet-Khoa Tran-Nguyen, Malgorzata N Drwal, Didier Rognan, Esther Kellenberger
Local Interaction Density (LID), a Fast and Efficient Tool to Prioritize Docking Poses. Molecules (Basel, Switzerland) 24 (14) (2019)
Malgorzata N Drwal, Guillaume Bret, Carlos Perez, Célien Jacquemard, Jérémy Desaphy, Esther Kellenberger
Structural Insights on Fragment Binding Mode Conservation. Journal of medicinal chemistry 61 (14) (2018)
Jun Jin, Fanny Momboisse, Gaelle Boncompain, Florian Koensgen, Zhicheng Zhou, Nelia Cordeiro, Fernando Arenzana-Seisdedos, Franck Perez, Bernard Lagane, Esther Kellenberger, Anne Brelot
CCR5 adopts three homodimeric conformations that control cell surface delivery. Science signaling 11 (529) (2018)
Malgorzata N Drwal, Célien Jacquemard, Carlos Perez, Jérémy Desaphy, Esther Kellenberger
Do Fragments and Crystallization Additives Bind Similarly to Drug-like Ligands? Journal of chemical information and modeling 57 (5) (2017)
Hélène Muller-Steffner, Sylvain A Jacques, Isabelle Kuhn, Michael D Schultz, Davide Botta, Paul Osswald, Clarisse Maechling, Frances E Lund, Esther Kellenberger
Efficient Inhibition of SmNACE by Coordination Complexes Is Abolished by S. mansoni Sequestration of Metal. ACS chemical biology 12 (7) (2017)
Malgorzata N Drwal, Guillaume Bret, Esther Kellenberger
Multi-target Fragments Display Versatile Binding Modes. Molecular informatics 36 (10) (2017)