Nicolas FLOQUET

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Unveiling G-Protein-Coupled Receptor Conformational Dynamics via Metadynamics Simulations and Markov State Models

Rita Ann Roessner , Nicolas Floquet , Maxime Louet

Journal of Chemical Information and Modeling, 2025, 65 (9), pp.4630-4642. ⟨10.1101/2025.01.21.634062⟩

Article dans une revue hal-04922565v1
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Extended Sampling of Macromolecular Conformations from Uniformly Distributed Points on Multidimensional Normal Mode Hyperspheres

Antoniel A S. Gomes , Mauricio G S Costa , Maxime Louet , Nicolas Floquet , Paulo M Bisch et al.

Journal of Chemical Theory and Computation, 2024, 20 (24), pp.10770-10786. ⟨10.1021/acs.jctc.4c01054⟩

Article dans une revue hal-05127915v1
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MDexciteR: Enhanced Sampling Molecular Dynamics by Excited Normal Modes or Principal Components Obtained from Experiments

Mauricio Costa , Paulo R Batista , Antoniel Gomes , Leonardo S Bastos , Maxime Louet et al.

Journal of Chemical Theory and Computation, 2023, 19 (2), pp.412-425. ⟨10.1021/acs.jctc.2c00599⟩

Article dans une revue hal-04277555v1
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Sodium is a negative allosteric regulator of the ghrelin receptor

Guillaume Ferré , Antoniel A.S. Gomes , Maxime Louet , Marjorie Damian , Paulo Bisch et al.

Cell Reports, 2023, 42 (4), pp.112320. ⟨10.1016/j.celrep.2023.112320⟩

Article dans une revue hal-04265315v1

Allosteric modulation of ghrelin receptor signaling by lipids

Marjorie Damian , Maxime Louet , Antoniel Augusto Severo Gomes , Céline M’kadmi , Séverine Denoyelle et al.

Nature Communications, 2021, 12 (1), pp.3938. ⟨10.1038/s41467-021-23756-y⟩

Article dans une revue hal-03852471v1
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Concerted conformational dynamics and water movements in the ghrelin G protein-coupled receptor

Maxime Louet , Marina Casiraghi , Marjorie Damian , Mauricio Gs Costa , Pedro Renault et al.

eLife, 2021, 10, pp.e63201. ⟨10.7554/elife.63201⟩

Article dans une revue hal-03407524v1
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Allosteric modulation of ghrelin receptor signaling by lipids

Marjorie Damian , Maxime Louet , Antoniel Augusto Severo Gomes , Céline M’kadmi , Séverine Denoyelle et al.

Nature Communications, 2021, 12 (1), pp.3938. ⟨10.1038/s41467-021-23756-y⟩

Article dans une revue hal-03407522v1
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Cryo–electron microscopy structure of the antidiuretic hormone arginine-vasopressin V2 receptor signaling complex

Julien Bous , Hélène Orcel , Nicolas Floquet , Cédric Leyrat , Josephine Lai Kee Him et al.

Science Advances , 2021, 7 (21), pp.eabg5628. ⟨10.1126/sciadv.abg5628⟩

Article dans une revue hal-03240488v1

Structure and dynamics of G protein-coupled receptor–bound ghrelin reveal the critical role of the octanoyl chain

Guillaume Ferré , Maxime Louet , Oliver Saurel , Bartholomé Delort , Georges Czaplicki et al.

Proceedings of the National Academy of Sciences of the United States of America, 2019, 116 (35), pp.17525-17530. ⟨10.1073/pnas.1905105116⟩

Article dans une revue hal-02322092v1
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Molecular Dynamics Simulations of the Allosteric Modulation of the Adenosine A2a Receptor by a Mini-G Protein

Pedro Renault , Maxime Louet , Jacky Marie , Gilles Labesse , Nicolas Floquet

Scientific Reports, 2019, 9 (1), ⟨10.1038/s41598-019-41980-x⟩

Article dans une revue hal-02322127v1

Structure and Dynamics of the Receptor-Bound Ghrelin Lipopeptide

Guillaume Ferré , Marjorie Damian , Céline M'Kadmi , Olivier Saurel , Georges Czaplicki et al.

Biophysical Journal, 2018, 114 (3), pp.235a. ⟨10.1016/J.BPJ.2017.11.1308⟩

Article dans une revue hal-02405941v1

Crystal structure and functional domains of the Mambaquaretin-1, a vasopressin type 2 receptor peptide inhibitor for kidney cysts treatment

Laura Droctové , Justyna Ciolek , Manon Lancien , Enrico Stura , Laura Vera et al.

Toxicon, 2018, 149, pp.91-92. ⟨10.1016/j.toxicon.2017.12.021⟩

Article dans une revue istex hal-03572739v1

GHSR-D2R heteromerization modulates dopamine signaling through an effect on G protein conformation

Marjorie Damian , Véronique Pons , Pedro Renault , Céline M’kadmi , Bartholomé Delort et al.

Proceedings of the National Academy of Sciences of the United States of America, 2018, 115 (17), pp.4501-4506. ⟨10.1073/pnas.1712725115⟩

Article dans une revue hal-02322168v1

Coarse-Grained Prediction of Peptide Binding to G-Protein Coupled Receptors

Bartholomé Delort , Pedro Renault , Landry Charlier , Florent Raussin , Jean Martinez et al.

Journal of Chemical Information and Modeling, 2017, 57 (3), pp.562-571. ⟨10.1021/acs.jcim.6b00503⟩

Article dans une revue hal-02322212v1

Use of Molecular Modeling to Design Selective NTS2 Neurotensin Analogues

Roberto Fanelli , Nicolas Floquet , Élie Besserer-Offroy , Bartholomé Delort , Mélanie Vivancos et al.

Journal of Medicinal Chemistry, 2017, 60 (8), pp.3303-3313. ⟨10.1021/acs.jmedchem.6b01848⟩

Article dans une revue hal-02322191v1

Structural and Molecular Determinants of Membrane Binding by the HIV-1 Matrix Protein

Peter Mercredi , Nadine Bucca , Burk Loeliger , Christy Gaines , Mansi Mehta et al.

Journal of Molecular Biology, 2016, 428 (8), pp.1637-1655. ⟨10.1016/j.jmb.2016.03.005⟩

Article dans une revue hal-02322236v1
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Identification of TAX2 peptide as a new unpredicted anti-cancer agent

Albin Jeanne , Emilie Sick , Jerôme Devy , Nicolas Floquet , N. Belloy et al.

Oncotarget, 2015, 6, pp.17981-18000. ⟨10.18632/oncotarget.4025⟩

Article dans une revue hal-01280451v1

Conformational Equilibrium of CDK/Cyclin Complexes by Molecular Dynamics with Excited Normal Modes

Nicolas Floquet , Mauricio g.S. Costa , Paulo r. Batista , Pedro Renault , Paulo m. Bisch et al.

Biophysical Journal, 2015, 109 (6), pp.1179-1189. ⟨10.1016/j.bpj.2015.07.003⟩

Article dans une revue hal-02322259v1

Coarse-Grained Simulations of the HIV-1 Matrix Protein Anchoring: Revisiting Its Assembly on Membrane Domains.

Landry Charlier , Maxime Louet , Laurent Chaloin , Patrick Fuchs , Jean Martinez et al.

Biophysical Journal, 2014, 106 (3), pp.577-585. ⟨10.1016/j.bpj.2013.12.019⟩

Article dans une revue hal-01105330v1
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Interaction between the elastin peptide VGVAPG and human elastin binding protein.

Charlotte Blanchevoye , Nicolas Floquet , Amandine Scandolera , Stéphanie Baud , Pascal Maurice et al.

Journal of Biological Chemistry, 2013, 288 (2), pp.1317-1328. ⟨10.1074/jbc.M112.419929⟩

Article dans une revue hal-01109325v1
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Interaction between the Elastin Peptide VGVAPG and Human Elastin Binding Protein

Charlotte Blanchevoye , Nicolas Floquet , Amandine Scandolera , Stéphanie Baud , Pascal Maurice et al.

Journal of Biological Chemistry, 2013, 288 (2), pp.1317-1328. ⟨10.1074/jbc.M112.419929⟩

Article dans une revue hal-02347668v1

Design of thrombospondin-binding peptides exhibiting strong anti- angiogenesis and anti-tumor properties

A. Jeanne , E. Sick , C. Schneider , Nicolas Floquet , J. Devy et al.

FEBS Journal, 2013, 280 (S1), pp.307-307. ⟨10.1111/febs.12340⟩

Article dans une revue hal-03574560v1

Conformational restriction of G-proteins Coupled Receptors (GPCRs) upon complexation to G-proteins: A putative activation mode of GPCRs?

Maxime Louet , Esra Karakas , Alexandre Perret , David Perahia , Jean Martinez et al.

FEBS Letters, 2013, 587 (16), pp.2656-2661. ⟨10.1016/j.febslet.2013.06.052⟩

Article dans une revue hal-01107226v1
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GDP release preferentially occurs on the phosphate side in heterotrimeric G-proteins.

Maxime Louet , Jean Martinez , Nicolas Floquet

PLoS Computational Biology, 2012, 8 (7), pp.e1002595. ⟨10.1371/journal.pcbi.1002595⟩

Article dans une revue hal-01109342v1

Dissociation of Membrane-Anchored Heterotrimeric G-Protein Induced by Gα Subunit Binding to GTP.

Maxime Louet , Landry Charlier , Jean Martinez , Nicolas Floquet

Journal of Chemical Information and Modeling, 2012, 52 (11), pp.3022-3027. ⟨10.1021/ci3003717⟩

Article dans une revue hal-01109335v1

Chemical optimization of new ligands of the low-density lipoprotein receptor as potential vectors for central nervous system targeting.

Jean-Daniel Malcor , Nadine Payrot , Marion David , Aude Faucon , Karima Abouzid et al.

Journal of Medicinal Chemistry, 2012, 55 (5), pp.2227-41. ⟨10.1021/jm2014919⟩

Article dans une revue hal-00839126v1

Ligands and signaling proteins govern the conformational landscape explored by a G protein-coupled receptor.

Sophie Mary , Marjorie Damian , Maxime Louet , Nicolas Floquet , Jean-Alain Fehrentz et al.

Proceedings of the National Academy of Sciences of the United States of America, 2012, 109 (21), pp.8304-9. ⟨10.1073/pnas.1119881109⟩

Article dans une revue hal-00713574v1

L-Arginine Binding to Human Inducible Nitric Oxide Synthase: An Antisymmetric Funnel Route toward Isoform-Specific Inhibitors?

Nicolas Floquet , Jean-François Hernandez , Jean-Luc Boucher , Jean Martinez

Journal of Chemical Information and Modeling, 2011, 51, pp.1325-1335. ⟨10.1021/ci100422v⟩

Article dans une revue hal-00770855v1

A Concerted Mechanism for Opening the GDP Binding Pocket and Release of the Nucleotide in Hetero-Trimeric G-Proteins

Maxime Louet , David Perahia , Jean Martinez , Nicolas Floquet

Journal of Molecular Biology, 2011, 411, pp.296-312. ⟨10.1016/j.jmb.2011.05.034⟩

Article dans une revue istex hal-00771168v1

Activation of the Ghrelin Receptor is Described by a Privileged Collective Motion: A Model for Constitutive and Agonist-induced Activation of a Sub-class A G-Protein Coupled Receptor (GPCR)

Nicolas Floquet , C. Mikadmi , D. Perahia , Didier Gagne , Gilbert Berge et al.

Journal of Molecular Biology, 2010, 395 (4), pp.769-784. ⟨10.1016/j.jmb.2009.09.051⟩

Article dans une revue istex hal-00485751v1

Involvement of tryptophan W276 and of two surrounding amino acid residues in the high constitutive activity of the ghrelin receptor GHS-R1a

C. Goze , Gilbert Berge , Celine M\'Kadmi , Nicolas Floquet , Didier Gagne et al.

European Journal of Pharmacology Molecular Pharmacology, 2010, 643 (2-3), pp.153-161. ⟨10.1016/j.ejphar.2010.06.018⟩

Article dans une revue istex hal-00583009v1

The YSNSG cyclopeptide derived from tumstatin inhibits tumor angiogenesis by down-regulating endothelial cell migration

Jessica Thévenard , Laurent Ramont , Bertrand Brassart , Aurélie Dupont-Deshorgue , Nicolas Floquet et al.

International Journal of Cancer, 2010, 126 (5), pp.1055-1066

Article dans une revue hal-00771934v1

The YSNSG cyclopeptide derived from tumstatin inhibits tumor angiogenesis by down-regulating endothelial cell migration.

Jessica Thevenard , Laurent Ramont , Jérome Devy , Bertrand Brassart , Aurélie Dupont-Deshorgue et al.

International Journal of Cancer Supplement, 2010, 126 (5), pp.1055-1066. ⟨10.1002/ijc.24688⟩

Article dans une revue hal-01109849v1

Collective motions in glucosamine-6-phosphate synthase: influence of ligand binding and role in ammonia channelling and opening of the fructose-6-phosphate binding site.

Nicolas Floquet , Philippe Durand , Bernard Maigret , Bernard Badet , Marie-Ange Badet-Denisot et al.

Journal of Molecular Biology, 2009, 385 (2), pp.653-664. ⟨10.1016/j.jmb.2008.10.032⟩

Article dans une revue istex hal-00365799v1

The role of aspartyl-rich pentapeptides in comparative complexation of actinide(IV) and iron(III). Part 1

Aurélie Jeanson , Claude Berthon , S. Coantic , Christophe den Auwer , Nicolas Floquet et al.

New Journal of Chemistry, 2009, 33 (5), pp.976-985. ⟨10.1039/B813523A⟩

Article dans une revue istex hal-00583012v1

Expanding the borononucleotide family: synthesis of borono-analogues of dCMP, dGMP and dAMP.

Anthony R. Martin , Kishor Mohanan , Delphine Luvino , Nicolas Floquet , Carine Baraguey et al.

Organic & Biomolecular Chemistry, 2009, 7 (21), pp.4369-4377. ⟨10.1039/b912616c⟩

Article dans une revue istex hal-01109915v1

The spirocyclopropyl moiety as a methyl surrogate in the structure of L-fucosidase and L-rhamnosidase inhibitors

Morwenna Pearson , Nicolas Floquet , Claudia Bello , Pierre Vogel , Richard Plantier-Royon et al.

Bioorganic and Medicinal Chemistry, 2009, 17 (23), pp.8020-8026. ⟨10.1016/j.bmc.2009.10.010⟩

Article dans une revue hal-00439568v1

Human thrombospondin’s (TSP-1) C-terminal domain opens to interact with the CD-47 receptor: A molecular modeling study

Nicolas Floquet , Stéphane Dedieu , Laurent Martiny , Manuel Dauchez , David Perahia

Archives of Biochemistry and Biophysics, 2008, 478 (1), pp.103-109. ⟨10.1016/j.abb.2008.07.015⟩

Article dans une revue istex hal-01109933v1

Discovery new inhibitors of bacterial glucosamine-6P synthase (GlmS) by docking simulations

Nicolas Floquet , C. Richez , P. Durand , Bernard Maigret , B. Badet et al.

Bioorganic and Medicinal Chemistry Letters, 2007, 17 (7), pp.1966-1970. ⟨10.1016/j.bmcl.2007.01.052⟩

Article dans une revue istex hal-00146254v1

Ammonia channeling in bacterial glucosamine-6-phosphate synthase (Glms): Molecular dynamics simulations and kinetic studies of protein mutants.

Nicolas Floquet , Stéphane Mouilleron , Rasha Daher , Bernard Maigret , Bernard Badet et al.

FEBS Letters, 2007, 581 (16), pp.2981-7. ⟨10.1016/j.febslet.2007.05.068⟩

Article dans une revue istex hal-00161331v1

Expression and purification of active human internal His6-tagged l-glutamine: d-Fructose-6P amidotransferase I

Celine Richez , Joachim Boetzel , Nicolas Floquet , Kinnera Koteshwar , Julie Stevens et al.

Protein Expression and Purification, 2007, 54 (1), pp.45-53. ⟨10.1016/j.pep.2007.01.015⟩

Article dans une revue istex hal-02144676v1

Structural and antitumor properties of the YSNSG cyclopeptide derived from Tumstatin

Jessica Thévenard , Nicolas Floquet , Laurent Ramont , Elise Prost , Jean-Marc Nuzillard et al.

Chemistry and Biology, 2006, 13, pp.1307-1315

Article dans une revue hal-00134047v1

Elastin as a matrikine

Laurent Duca , Nicolas Floquet , Alain J.P Alix , Bernard Haye , Laurent Debelle

Critical Reviews in Oncology/Hematology, 2004, 49 (3), pp.235-244. ⟨10.1016/j.critrevonc.2003.09.007⟩

Article dans une revue istex hal-02330586v1

An intricate link between membrane lipids and GPCR signaling

Damian Marjorie , Michela Di Michele , Pauline Henri , Ludovic Berto , Maxime Louet et al.

Symposium on GPCR Conformational Dynamics, Daniel Huster, Université de Leipzig, Jan 2025, Leipzig (DE), Germany

Communication dans un congrès hal-04921963v1

Structure and dynamics of GPCR-bound ghrelin reveal the critical role of the octanoyl chain

Guillaume Ferré , Maxime Louet , Oliver Saurel , Bartholomé Delort , Georges Czaplicki et al.

Joint 12th EBSA congress and 10th ICBP – IUPAP Biophysics congress (EBSA-IUBAP 2019), European Biophysical Societies' Association (EBSA); International Union for Pure and Applied Biophysics (IUPAB); Sociedad de Biofísica de España, Jul 2019, Madrid, Spain

Communication dans un congrès hal-04847921v1

Elastin in silico.

Alain J.P. Alix , Brigida Bochicchio , Manuel Dauchez , Laurent Debelle , Philippe Derreumaux et al.

Second European Symposium ELASTIN 2002, Jul 2002, Acquafredda di Maratea, Italy

Communication dans un congrès hal-02333204v1