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Af-analysis: a Python package for Alphafold analysis
Alaa Reguei
,
Samuel Murail
Article dans une revue
hal-05415824
v1
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Simulated Solute Tempering 2: An Efficient and Practical Approach to Protein Conformational Sampling and Binding Events
Dirk Stratmann
,
Gautier Moroy
,
Pierre Tuffery
,
Samuel Murail
Article dans une revue
hal-05415864
v1
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State-dependent dynamic communication networks in a pentameric ligand-gated ion channel
Bogdan Lev
,
Samuel Murail
,
Igor Vorobyov
,
Marc Baaden
,
Toby Allen
Article dans une revue
hal-05412186
v1
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Robust Conformational Space Exploration of Cyclic Peptides by Combining Different MD Protocols and Force Fields
Samuel Murail
,
Jaysen Sawmynaden
,
Akli Zemirli
,
Maud Jusot
,
Fabio Pietrucci
et al.
Article dans une revue
hal-05415840
v1
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Exploring the interaction between a LRRK2/PP1CA interfering peptide and PP1CA
Jose Dominguez-Meijide
,
Samuel Murail
,
Rachid Boudjelloul
,
Pierre Tuffery
,
Angelita Rebollo
Article dans une revue
hal-05349371
v1
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Pred-O3, a web server to predict molecules, olfactory receptors and odor relationships
Guillaume Ollitrault
,
Rayane Achebouche
,
Antoine Dreux
,
Samuel Murail
,
Karine Audouze
et al.
Article dans une revue
hal-04665721
v1
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PEP-FOLD4: a pH-dependent force field for peptide structure prediction in aqueous solution
Julien Rey
,
Samuel Murail
,
Sjoerd de Vries
,
Philippe Derreumaux
,
Pierre Tuffery
Article dans une revue
hal-05441879
v1
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In Silico and In Vivo Studies of a Tumor-Penetrating and Interfering Peptide with Antitumoral Effect on Xenograft Models of Breast Cancer
Gustavo H Marin
,
Samuel Murail
,
Laura Andrini
,
Marcela Garcia
,
Severine Loisel
et al.
Article dans une revue
hal-05441860
v1
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Exploring a Structural Data Mining Approach to Design Linkers for Head-to-Tail Peptide Cyclization
Yasaman Karami
,
Samuel Murail
,
Julien Giribaldi
,
Benjamin Lefranc
,
Florian Defontaine
et al.
Article dans une revue
(article de synthèse)
hal-04406845
v1
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Binding and Kinetic Analysis of Human Protein Phosphatase PP2A Interactions with Caspase 9 Protein and the Interfering Peptide C9h
Karim Dorgham
,
Samuel Murail
,
Pierre Tuffery
,
Eric Savier
,
Jeronimo Bravo
et al.
Article dans une revue
hal-03794499
v1
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SeamDock: An Interactive and Collaborative Online Docking Resource to Assist Small Compound Molecular Docking
Samuel Murail
,
Sjoerd J. de Vries
,
Julien Rey
,
Gautier Moroy
,
Pierre Tuffery
Article dans une revue
hal-03677201
v1
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InterEvDock3: a combined template-based and free docking server with increased performance through explicit modeling of complex homologs and integration of covariation-based contact maps
Chloe Quignot
,
Guillaume Postic
,
Helene Bret
,
Julien Rey
,
Pierre Granger
et al.
Article dans une revue
hal-03677216
v1
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Molecular dynamics simulations reveal statistics and microscopic mechanisms of water permeation in membrane-embedded artificial water channel nanoconstructs
Arthur Hardiagon
,
Samuel Murail
,
Li-Bo Huang
,
Arie van Der Lee
,
Fabio Sterpone
et al.
Article dans une revue
hal-03410227
v1
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Glutathionylation primes soluble GAPDH for late collapse into insoluble aggregates
Mirko Zaffagnini
,
Christophe H. Marchand
,
M. Malferrari
,
Samuel Murail
,
Sara Bonacchi
et al.
Proceedings of the National Academy of Sciences of the United States of America, 2019, 116 (51), pp.26057-26065. ⟨10.1073/pnas.1914484116⟩
Article dans une revue
hal-02370717
v1
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DaReUS-Loop: a web server to model multiple loops in homology models
Yasaman Karami
,
Julien Rey
,
Guillaume Postic
,
Samuel Murail
,
Pierre Tuffery
et al.
Article dans une revue
hal-03201549
v1
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Coarse-grained and atomic resolution biomolecular docking with the ATTRACT approach
Glenn Glashagen
,
Sjoerd de Vries
,
Urszula Uciechowska-Kaczmarzyk
,
Sergey A. Samsonov
,
Samuel Murail
et al.
Article dans une revue
hal-03201555
v1
|
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Water permeation across artificial I-quartet membrane channels: from structure to disorder
Samuel Murail
,
Tudor Vasiliu
,
Andrei Neamtu
,
Mihail Barboiu
,
Fabio Sterpone
et al.
Article dans une revue
hal-01926847
v1
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Biomimetic water channels: general discussion
Marc Baaden
,
Mihail Barboiu
,
Roslyn Bill
,
Chun-Long Chen
,
Jeffery Davis
et al.
Article dans une revue
hal-01926861
v1
|
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Oriented chiral water wires in artificial transmembrane channels
Istvan Kocsis
,
Mirco Sorci
,
Heather Vanselous
,
Samuel Murail
,
Stephanie Sanders
et al.
Article dans une revue
hal-01797309
v1
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Applications to water transport systems: general discussion
Marc Baaden
,
Mihail Barboiu
,
Manash Pratim Borthakur
,
Chun-Long Chen
,
Rob Coalson
et al.
Article dans une revue
hal-01926896
v1
|
|
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String method solution of the gating pathways for a pentameric ligand-gated ion channel
Bogdan Lev
,
Samuel Murail
,
Frédéric Poitevin
,
Brett A Cromer
,
Marc Baaden
et al.
Proceedings of the National Academy of Sciences of the United States of America, 2017, 114 (21), pp.E4158 - E4167. ⟨10.1073/pnas.1617567114⟩
Article dans une revue
hal-01644525
v1
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Sites of Anesthetic Inhibitory Action on a Cationic Ligand-Gated Ion Channel
Benoist Laurent
,
Samuel Murail
,
Azadeh Shahsavar
,
Ludovic Sauguet
,
Marc Delarue
et al.
Article dans une revue
hal-01400467
v1
|
|
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Salt-Excluding Artificial Water Channels Exhibiting Enhanced Dipolar Water and Proton Translocation
Erol Licsandru
,
Istvan Kocsis
,
Yue-Xiao Shen
,
Samuel Murail
,
Yves-Marie Legrand
et al.
Article dans une revue
hal-01400466
v1
|
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Allosteric and hyperekplexic mutant phenotypes investigated on an α1 glycine receptor transmembrane structure.
Gustavo Moraga-Cid
,
Ludovic Sauguet
,
Christèle Huon
,
Laurie Malherbe
,
Christine Girard-Blanc
et al.
Proceedings of the National Academy of Sciences of the United States of America, 2015, 112 (9), pp.2865-70. ⟨10.1073/pnas.1417864112⟩
Article dans une revue
hal-01230762
v1
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Structural basis for ion permeation mechanism in pentameric ligand-gated ion channels.
Ludovic Sauguet
,
Frédéric Poitevin
,
Samuel Murail
,
Catherine van Renterghem
,
Gustavo Moraga-Cid
et al.
Article dans une revue
hal-01084646
v1
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Class-B GPCR activation : is ligand helix-capping the key ?
J.-M. Neumann
,
A. Couvineau
,
S. Murail
,
J.-J. Lacapère
,
N. Jamin
et al.
Article dans une revue
istex
hal-00363367
v1
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Secondary and tertiary strutures of the transmembrane domains of the translocator protein TSPO determined by NMR. Stabilization of the TSPO tertiary fold upon ligand binding
S. Murail
,
Jc Robert
,
Ym Coic
,
Jm Neumann
,
Ma Ostuni
et al.
Biochimica et Biophysica Acta:Biomembranes, 2008, 1778, pp.1375-81
Article dans une revue
hal-00363353
v1
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Secondary and tertiary structures of the transmembrane domains of the translocator protein TSPO determined by NMR. Stabilization of the TSPO tertiary fold upon ligand binding
Samuel Murail
,
Jean-Claude Robert
,
Yves-Marie Coïc
,
Jean-Michel Neumann
,
Mariano A Ostuni
et al.
Article dans une revue
hal-05440360
v1
|
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The vasoactive intestinal peptide alpha helix up to C-terminus interacts with the N-terminal ectodomain of the humain VPAC1 recptor : photoaffinity, molecular modeling and dynamics.
E. Ceraudo
,
S. Murail
,
Yv Tan
,
Jj Lacapère
,
Jm Neuman
et al.
Mol Endocrinol, 2008, pp.147-155
Article dans une revue
hal-00258990
v1
|
|
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Characterization of the cholesterol recognition amino acid consensus sequence of the peripheral-type benzodiazepine receptor
Nadège Jamin
,
Jean-Michel Neumann
,
Mariano A. Ostuni
,
Thi Kim Ngoc Vu
,
Zhi-Xing Yao
et al.
Article dans une revue
hal-05324303
v1
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