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VTX: Real-time high-performance molecular structure and dynamics visualization software
Maxime Maria
,
Simon Guionnière
,
Nicolas Dacquay
,
Valentin Guillaume
,
Vincent Larroque
et al.
Article dans une revue
hal-04917948v1
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Combining Molecular Docking and Pharmacophore Models Predicts Ligand Binding of Endocrine-Disrupting Chemicals to Nuclear Receptors
Asma Sellami
,
Matthieu Montes
,
Nathalie Lagarde
Article dans une revue
hal-05034696v1
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SHREC 2025: Protein surface shape retrieval including electrostatic potential
Taher Yacoub
,
Camille Depenveiller
,
Atsushi Tatsuma
,
Tin Barisin
,
Eugen Rusakov
et al.
Article dans une revue
hal-05263222v1
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Interactive visualization of large molecular systems with VTX: example with a minimal whole-cell model
Maxime Maria
,
Valentin Guillaume
,
Simon Guionnière
,
Nicolas Dacquay
,
Vincent Larroque
et al.
Article dans une revue
hal-04986917v1
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PLO3S: Protein LOcal Surficial Similarity Screening
Léa Sirugue
,
Florent Langenfeld
,
Nathalie Lagarde
,
Matthieu Montes
Article dans une revue
hal-05133344v1
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Efficient GPU computation of large protein Solvent-Excluded Surface
Cyprien Plateau-Holleville
,
Maxime Maria
,
Stéphane Mérillou
,
Matthieu Montes
Article dans une revue
hal-04550117v1
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UDock2 : interactive real-time multi-body protein–protein docking software
Cyprien Plateau-Holleville
,
Simon Guionnière
,
Benjamin Boyer
,
Brian Jiménez-Garcia
,
Guillaume Levieux
et al.
Article dans une revue
hal-04356674v1
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Surface-based protein domains retrieval methods from a SHREC2021 challenge
Florent Langenfeld
,
Tunde Aderinwale
,
Charles Christoffer
,
Woong-Hee Shin
,
Genki Terashi
et al.
Article dans une revue
hal-03538936v1
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Computationally driven discovery of SARS-CoV-2 M pro inhibitors: from design to experimental validation
Léa El Khoury
,
Zhifeng Jing
,
Alberto Cuzzolin
,
Alessandro Deplano
,
Daniele Loco
et al.
Article dans une revue
hal-03361062v1
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Neuropilin 1 and Neuropilin 2 gene invalidation or pharmacological inhibition reveals their relevance for the treatment of metastatic renal cell carcinoma
Aurore Dumond
,
Etienne Brachet
,
Jérôme Durivault
,
Valérie Vial
,
Anna Puszko
et al.
Article dans une revue
hal-03132345v1
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Comparative evaluation of shape retrieval methods on macromolecular surfaces: an application of computer vision methods in structural bioinformatics
Mohamed Machat
,
Florent Langenfeld
,
Daniela Craciun
,
Léa Sirugue
,
Taoufik Labib
et al.
Article dans une revue
hal-03560225v1
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High-Resolution Mining of SARS-CoV-2 Main Protease Conformational Space: Supercomputer-Driven Unsupervised Adaptive Sampling
Théo Jaffrelot Inizan
,
Frederic Célerse
,
Olivier Adjoua
,
Dina El Ahdab
,
Luc-Henri Jolly
et al.
Article dans une revue
hal-02943694v1
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Predicting Potential Endocrine Disrupting Chemicals Binding to Estrogen Receptor α (ERα) Using a Pipeline Combining Structure-Based and Ligand-Based in Silico Methods
Asma Sellami
,
Matthieu Montes
,
Nathalie Lagarde
Article dans une revue
hal-03454597v1
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SHREC 2020: multi-domain protein shape retrieval challenge
Florent Langenfeld
,
Yuxu Peng
,
Yu-Kun Lai
,
Paul L. Rosin
,
Tunde Aderinwale
et al.
Article dans une revue
hal-03321566v1
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New CXCR1/CXCR2 inhibitors represent an effective treatment for kidney or head and neck cancers sensitive or refractory to reference treatments
Maeva Dufies
,
Oleksandr Grytsai
,
Cyril Ronco
,
Oumar Camara
,
Damien Ambrosetti
et al.
Article dans une revue
hal-02308756v1
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Hits Discovery on the Androgen Receptor: In Silico Approaches to Identify Agonist Compounds
Manon Réau
,
Nathalie Lagarde
,
Jean-François Zagury
,
Matthieu Montes
Article dans une revue
hal-03454453v1
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New selective cyclooxygenase-2 inhibitors from cyclocoumarol: Synthesis, characterization, biological evaluation and molecular modeling
Anita Marie Rayar
,
Nathalie Lagarde
,
Frédérique Martin
,
Florent Blanchard
,
Bertrand Liagre
et al.
Article dans une revue
hal-02453627v1
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Update on COX-2 Selective Inhibitors: Chemical Classification, Side Effects and their Use in Cancers and Neuronal Diseases
Anita Maria Rayar
,
Nathalie Lagarde
,
C. Ferroud
,
Jean-François Zagury
,
Matthieu Montes
et al.
Article dans une revue
hal-01599103v1
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Identification of an in vivo orally active dual-binding protein-protein interaction inhibitor targeting TNFα through combined in silico/in vitro/in vivo screening
Hadley Mouhsine
,
Hélène Guillemain
,
Gabriel Moreau
,
Najla Fourati
,
Chouki Zerrouki
et al.
Article dans une revue
hal-01679350v1
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Predictiveness curves in virtual screening
Charly Empereur-Mot
,
Hélène Guillemain
,
Aurélien Latouche
,
Jean-François Zagury
,
Vivian Viallon
et al.
Article dans une revue
hal-01808396v1
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Synthesis and structure–activity relationship of non-peptidic antagonists of neuropilin-1 receptor
Wang-Qing Liu
,
Valentino Megale
,
Lucia Borriello
,
Bertrand Leforban
,
Matthieu Montes
et al.
Article dans une revue
istex
hal-02126861v1
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1,2,4-Oxadiazoles Identified by Virtual Screening and their Non-Covalent Inhibition of the Human 20S Proteasome
X. Maréchal
,
E. Genin
,
L. Qin
,
O. Sperandio
,
M. Montes
et al.
Article dans une revue
istex
hal-01408236v1
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Novel Organic Proteasome Inhibitors Identified by Virtual and in Vitro Screening
Basse Nicolas
,
Matthieu Montes
,
Xavier Maréchal
,
Lixian Qin
,
Michelle Bouvier-Durand
et al.
Article dans une revue
hal-00842659v1
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Genomewide Association Study of a Rapid Progression Cohort Identifies New Susceptibility Alleles for AIDS (ANRS Genomewide Association Study 03)
Sigrid Le Clerc
,
Sophie Limou
,
Cédric Coulonges
,
Wassila Carpentier
,
Christian Dina
et al.
Article dans une revue
hal-02566721v1
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Genomewide Association Study of an AIDS‐Nonprogression Cohort Emphasizes the Role Played by HLA Genes (ANRS Genomewide Association Study 02)
Sophie Limou
,
Sigrid Le Clerc
,
Cédric Coulonges
,
Wassila Carpentier
,
Christian Dina
et al.
Article dans une revue
hal-02566791v1
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FAF-Drugs: free ADME/tox filtering of compound collections
Maria A. Miteva
,
Stephanie Violas
,
Matthieu Montes
,
David Gomez
,
Pierre Tuffery
et al.
Nucleic Acids Research, 2006, 34, pp.w738-w744
Article dans une revue
inserm-00106930v1
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Design, synthesis, and biological evaluation of novel naphthoquinone derivatives with CDC25 phosphatase inhibitory activity.
Marie-Priscille Brun
,
Emmanuelle Braud
,
Delphine Angotti
,
Odile Mondésert
,
Muriel Quaranta
et al.
Article dans une revue
istex
hal-00317419v1
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