Sophie Sacquin-Mora CNRS Research director

Identifiants chercheurs

IdHAL :

sophie-sacquin-mora

ORCID :

0000-0002-2781-4333

IdRef :

076735443

Présentation

I'm a CNRS Research Director trying to understand how proteins work using modeling tools such as all-atom Molecular Dynamics or coarse-grain approaches.I am also interested in science popularization and present my favorite proteins on the blog &quot;Top of the Prots&quot; (https://topoftheprots.com/, in french)

Publications

Article dans une revue (47)

Biocatalytic mechanistic investigation of sulfur oxidation in dimeric model of polyphenylene sulfide polymer (PPS) by DszC enzyme Pei Wang,Changru Ma,Anthony Bocahut,Sophie Sacquin-Mora,Carine Michelet al. Journal of Catalysis, 2026, 457, pp.116818. ⟨10.1016/j.jcat.2026.116818⟩ Article dans une revue hal-05581687v1
DynaBench: Dynamic data for the docking benchmark Ayşe Berçin Barlas,Benoist Laurent,Ezgi Karaca,Chantal Prévost,Sophie Sacquin-Mora Journal of Molecular Biology, 2026, pp.169650. ⟨10.1016/j.jmb.2026.169650⟩ Article dans une revue hal-05581680v1
Sticky salts: overbinding of monovalent cations to phosphorylations in all-atom forcefields Jules Marien,Julie Puyo-Fourtine,Chantal Prévost,Sophie Sacquin-Mora,Elise Duboué-Dijon Journal of Chemical Information and Modeling, 2025, 65 (24), pp.13266-13281. ⟨10.1021/acs.jcim.5c02154⟩ Article dans une revue hal-05339020v1
Across (conformational) space and (relaxation) time: using coarse-grain simulations to probe the intra- and interdomain dynamics of the tau protein Jules Marien,Chantal Prévost,Sophie Sacquin-Mora Journal of Physical Chemistry B, 2025, 129 (47), pp.12146-12158. ⟨10.1021/acs.jpcb.5c06282⟩ Article dans une revue hal-05339034v1
Impact of Multiple Phosphorylations on the Tau-R2/Tubulin Interface Jules Marien,Chantal Prévost,Sophie Sacquin-Mora Biochemistry, 2025, 64 (13), pp.2916-2925. ⟨10.1021/acs.biochem.5c00109⟩ Article dans une revue hal-05253990v1
n P-Collabs: Investigating Counterion-Mediated Bridges in the Multiply Phosphorylated Tau-R2 Repeat Jules Marien,Chantal Prévost,Sophie Sacquin-Mora Journal of Chemical Information and Modeling, 2024, 64 (16), pp.6570-6582. ⟨10.1021/acs.jcim.4c00742⟩ Article dans une revue hal-04686071v1
Structural profiles of the full phagocyte NADPH oxidase unveiled by combining computational biology and experimental knowledge Sana Aimeur,Burcu Aykac Fas,Xavier Serfaty,Hubert Santuz,Sophie Sacquin-Moraet al. Journal of Biological Chemistry, 2024, 300 (12), pp.107943. ⟨10.1016/j.jbc.2024.107943⟩ Article dans une revue hal-04834774v1
A Perspective on the prospective use of AI in protein structure prediction Raphaelle Versini,Sujith Sritharan,Burcu Aykaç Fas,Thibault Tubiana,Sana Zineb Aimeuret al. Journal of Chemical Information and Modeling, 2024, 64 (1), pp.26-41. ⟨10.1021/acs.jcim.3c01361⟩ Article dans une revue hal-04306436v1
It Takes Tau to Tango: Investigating the Fuzzy Interaction between the R2-Repeat Domain and Tubulin C-Terminal Tails Jules Marien,Chantal Prévost,Sophie Sacquin-Mora Biochemistry, 2023, 62 (16), pp.2492-2502. ⟨10.1101/2023.02.09.527845⟩ Article dans une revue hal-04177051v1
Best Practices of Using AI-Based Models in Crystallography and Their Impact in Structural Biology Marc Graille,Sophie Sacquin-Mora,Antoine Taly Journal of Chemical Information and Modeling, In press, ⟨10.1021/acs.jcim.3c00381⟩ Article dans une revue hal-04130165v1
Editorial: In Celebration of Women in Science: Biological Modeling and Simulation Burcu Aykac Fas,Sophie Sacquin-Mora,Elena Papaleo Frontiers in Molecular Biosciences, 2023, 10, ⟨10.3389/fmolb.2023.1175325⟩ Article dans une revue (compte-rendu de lecture) hal-04128274v1
Conformational and mechanical stability of the isolated large subunit of membrane-bound [NiFe]-hydrogenase from Cupriavidus necator Jovan Dragelj,Chara Karafoulidi-Retsou,Sagie Katz,Oliver Lenz,Ingo Zebgeret al. Frontiers in Microbiology, 2023, 13, ⟨10.3389/fmicb.2022.1073315⟩ Article dans une revue hal-03965156v1
Between two walls: Modeling the adsorption behavior of β-glucosidase A on bare and SAM-functionalised gold surfaces Nicolas Bourassin,Florent Barbault,Marc Baaden,Sophie Sacquin-Mora Langmuir, 2022, 38 (4), pp.1313-1323. ⟨10.1021/acs.langmuir.1c01774⟩ Article dans une revue hal-03294641v1
Modeling the Dynamics of Protein–Protein Interfaces, How and Why? Ezgi Karaca,Chantal Prevost,Sophie Sacquin-Mora Molecules, 2022, 27 (6), pp.1841. ⟨10.3390/molecules27061841⟩ Article dans une revue hal-03643994v1
Design – a new way to look at old molecules Davide Spalvieri,Anne-Marine Mauviel,Matthieu Lambert,Nicolas Férey,Sophie Sacquin-Moraet al. Journal of Integrative Bioinformatics, 2022, 19 (2), pp.20220020. ⟨10.1515/jib-2022-0020⟩ Article dans une revue hal-03793308v1
Moving pictures: Reassessing docking experiments with a dynamic view of protein interfaces Chantal Prevost,Sophie Sacquin-Mora Proteins - Structure, Function and Bioinformatics, 2021, 89 (10), pp.1315-1323. ⟨10.1002/prot.26152⟩ Article dans une revue hal-03065754v1
When Order Meets Disorder: Modeling and Function of the Protein Interface in Fuzzy Complexes Sophie Sacquin-Mora,Chantal Prevost Biomolecules, 2021, 11 (10), pp.1529. ⟨10.3390/biom11101529⟩ Article dans une revue hal-03389754v1
Implicit Modeling of the Impact of Adsorption on Solid Surfaces for Protein Mechanics and Activity with a Coarse-Grain Representation Nicolas Bourassin,Marc Baaden,Elisabeth Lojou,Sophie Sacquin-Mora Journal of Physical Chemistry B, 2020, 15, ⟨10.1021/acs.jpcb.0c05347⟩ Article dans une revue hal-02939019v1
Protein interaction energy landscapes are shaped by functional and also non-functional partners Hugo Schweke,Marie-Hélène Mucchielli,Sophie Sacquin-Mora,Wanying Bei,Anne Lopes Journal of Molecular Biology, 2020, 432 (4), pp.1183. ⟨10.1016/j.jmb.2019.12.047⟩ Article dans une revue hal-02445555v1
Coarse-grain simulations on NMR conformational ensembles highlight functional residues in proteins Sophie Sacquin-Mora Journal of the Royal Society Interface, 2019, 16 (156), pp.20190075. ⟨10.1098/rsif.2019.0075⟩ Article dans une revue hal-02307948v1
Conformational Stability Adaptation of a Double-Stranded RNA-Binding Domain to Transfer RNA Ligand Charles Bou-Nader,Ludovic Pecqueur,Pierre Barraud,Marc Fontecave,Carine Tisnéet al. Biochemistry, 2019, 58 (20), pp.2463-2473. ⟨10.1021/acs.biochem.9b00111⟩ Article dans une revue hal-04238753v1
Mechanical variations in proteins with large-scale motions highlight the formation of structural locks Sophie Sacquin-Mora Journal of Structural Biology, 2018, 203 (3), pp.195-204. ⟨10.1016/j.jsb.2018.05.006⟩ Article dans une revue hal-02104314v1
Hidden partners: Using cross-docking calculations to predict binding sites for proteins with multiple interactions Nathalie Lagarde,Alessandra Carbone,Sophie Sacquin-Mora Proteins - Structure, Function and Bioinformatics, 2018, 86 (7), pp.723-737. ⟨10.1002/prot.25506⟩ Article dans une revue hal-02104315v1
Controlling Redox Enzyme Orientation at Planar Electrodes Vivek Pratap Hitaishi,Romain Clément,Nicolas Bourassin,Marc Baaden,Anne de Poulpiquetet al. Catalysts, 2018, 8 (5), pp.192. ⟨10.3390/catal8050192⟩ Article dans une revue hal-01793660v1
Meet-U: educating through research immersion Nika Abdollahi,Alexandre Albani,Eric Anthony,Agnes Baud,Mélissa Cardonet al. PLoS Computational Biology, 2018, 14 (3), pp.1-10. ⟨10.1371/journal.pcbi.1005992⟩ Article dans une revue hal-01722019v1
Determinants of neuroglobin plasticity highlighted by joint coarse-grained simulations and high pressure crystallography. Nathalie Colloc’h,Sophie Sacquin-Mora,Giovanna Avella,Anne-Claire Dhaussy,Thierry Prangéet al. Scientific Reports, 2017, 7 (1), pp.1858. ⟨10.1038/s41598-017-02097-1⟩ Article dans une revue hal-01523850v1
Mobility and core-protein binding patterns of disordered C-terminal tails in β-tubulin isotypes. Yoann Laurin,Joël Eyer,Charles H. Robert,C Prévost,S. Sacquin-Mora Biochemistry (mosc.), 2017, ⟨10.1021/acs.biochem.6b00988⟩ Article dans une revue hal-01497972v1
Bridging Enzymatic Structure Function via Mechanics: A Coarse-Grain Approach Sophie Sacquin-Mora Methods in Enzymology, 2016, ⟨10.1016/bs.mie.2016.05.022⟩ Article dans une revue hal-01451158v1
Great interactions: How binding incorrect partners can teach us about protein recognition and function Lydie Vamparys,Benoist Laurent,Alessandra Carbone,Sophie Sacquin-Mora Proteins - Structure, Function and Bioinformatics, 2016, 84 (10), pp.1408-1421 ⟨10.1002/prot.25086⟩ Article dans une revue hal-01347160v1
Fold and flexibility: what can proteins' mechanical properties tell us about their folding nucleus? Sophie Sacquin-Mora Journal of the Royal Society Interface, 2015, ⟨10.1098/rsif.2015.0876⟩ Article dans une revue hal-01451165v1
Investigating the Structural Variability and Binding Modes of the Glioma Targeting NFL-TBS.40-63 Peptide on Tubulin Yoann Laurin,Philippe Savarin,Charles H Robert,Masayuki Takahashi,Joël Eyeret al. Biochemistry, 2015, ⟨10.1021/acs.biochem.5b00146⟩ Article dans une revue hal-01451181v1
How binding incorrect partners can lead to the prediction of correct interfaces: Results from a massive cross-docking study on proteins Sophie Sacquin-Mora,Lydie Vamparys,Alessandra Carbone Protein Science, 2015, 24 (1, SI), pp.243-244 Article dans une revue hal-01528524v1
Docking Peptides on Proteins: How to Open a Lock, in the Dark, with a Flexible Key Sophie Sacquin-Mora,Chantal Prévost Structure, 2015, ⟨10.1016/j.str.2015.07.004⟩ Article dans une revue hal-01451174v1
Assessing the effect of dynamics on the closed-loop protein-folding hypothesis Sree V. Chintapalli,Christopher J. R. Illingworth,Graham J. G. Upton,Sophie Sacquin-Mora,Philip J. Reeveset al. Journal of the Royal Society Interface, 2014, 11 (91), pp.20130935. ⟨10.1098/rsif.2013.0935⟩ Article dans une revue hal-01498046v1
Multiscale Simulations Give Insight into the Hydrogen in- and out-Pathways of [NiFe]-Hydrogenases from Aquifex Aeolicus and Desulfovibrio Fructosovorans. Francesco Oteri,Marc Baaden,Elisabeth Lojou,Sophie Sacquin-Mora Journal of Physical Chemistry B, 2014, 118 (48), pp.13800-13811. ⟨10.1021/jp5089965⟩ Article dans une revue hal-01084622v1
Motions and mechanics: investigating conformational transitions in multi-domain proteins with coarse-grain simulations Sophie Sacquin-Mora Mol. Simul., 2014, 40 (1-3), pp.229--236. ⟨10.1080/08927022.2013.843176⟩ Article dans une revue hal-01498044v1
The weak, fluctuating, dipole moment of membrane-bound hydrogenase from Aquifex aeolicus accounts for its adaptability to charged electrodes Francesco Oteri,Alexandre Ciaccafava,Anne De Poulpiquet,Marc Baaden,Elisabeth. Lojouet al. Physical Chemistry Chemical Physics, 2014, 16 (23), pp.11318-11322. ⟨10.1039/C4CP00510D⟩ Article dans une revue hal-01493492v1
Heme orientation modulates histidine dissociation and ligand binding kinetics in the hexacoordinated human neuroglobin. Anthony Bocahut,Valérie Derrien,Sophie Bernad,Pierre Sebban,Sophie Sacquin-Moraet al. Journal of Biological Inorganic Chemistry, 2013, 18 (1), pp.111-22. ⟨10.1007/s00775-012-0956-2⟩ Article dans une revue hal-00783539v1
Heme orientation modulates histidine dissociation and ligand binding kinetics in the hexacoordinated human neuroglobin A Bocahut,V Derrien,S Bernad,P. Sebban,S Sacquin-Moraet al. Journal of Biological Inorganic Chemistry, 2013, 18 (1) Article dans une revue hal-01326196v1
Protein-protein interactions in a crowded environment: an analysis via cross-docking simulations and evolutionary information Anne Lopes,Sophie Sacquin-Mora,Viktoriya Dimitrova,Elodie Laine,Yann Pontyet al. PLoS Computational Biology, 2013, 9 (12), pp.e1003369. ⟨10.1371/journal.pcbi.1003369⟩ Article dans une revue hal-00875116v1
Thermal fluctuations of haemoglobin from different species: adaptation to temperature via conformational dynamics A. M. Stadler,C. J. Garvey,A. Bocahut,S. Sacquin-Mora,I. Digelet al. Journal of the Royal Society Interface, 2012, 9 (76), pp.2845--2855. ⟨10.1098/rsif.2012.0364⟩ Article dans une revue hal-01498101v1
Enzyme closure and nucleotide binding structurally lock guanylate kinase. Olivier Delalande,Sophie Sacquin-Mora,Marc Baaden Biophysical Journal, 2011, 101 (6), pp.1440-9. ⟨10.1016/j.bpj.2011.07.048⟩ Article dans une revue hal-00645163v1
Functional Modes and Residue Flexibility Control the Anisotropic Response of Guanylate Kinase to Mechanical Stress Sophie Sacquin-Mora,Olivier Delalande,Marc Baaden Biophysical Journal, 2010, 99 (10), pp.3412-3419. ⟨10.1016/j.bpj.2010.09.026⟩ Article dans une revue hal-00602505v1
Joint evolutionary trees: a large-scale method to predict protein interfaces based on sequence sampling. Stefan Engelen,Ladislas A. Trojan,Sophie Sacquin-Mora,Richard Lavery,Alessandra Carbone PLoS Computational Biology, 2009, 5 (1), pp.e1000267. ⟨10.1371/journal.pcbi.1000267⟩ Article dans une revue inserm-00705756v1
Protein mechanics: a route from structure to function. R. Lavery,S. Sacquin-Mora Journal of Biosciences, 2007, 32, pp.891-898 Article dans une revue hal-00315141v1
Probing macromolecular mechanics: Heterogeneity and function (lavery Laveryr,(sacquin-Mora Sacquin-Moras,Xxxx Sophie) JOURNAL OF BIOMOLECULAR STRUCTURE, 2007, xxx, pp.763-763 Article dans une revue hal-00315127v1
Investigating the local flexibility of functional residues in hemoproteins. S. Sacquin-Mora,R. Lavery Biophysical Journal, 2006, 90, pp.2706-2717 Article dans une revue hal-00313391v1

Communication dans un congrès (12)

Addressing the gender gap when recruiting and promoting researchers: Lessons from the CNRS Comité National Sophie Sacquin-Mora Workshop on Accessibility, Inclusivity and Visibility in Computational Chemistry, CECAM, Apr 2026, Lyon, France Communication dans un congrès hal-05600246v1
A Comparative Investigation of the Mannose Binding Interface in DC-SIGN and MRC1 Carbohydrate Recognition Domains Sina Geißler,Sophie Sacquin-Mora Hünfeld 2026: Workshop on Computer Simulation and Theory of Macromolecules, Theoretical and Computational Biophysics group, MPI Göttingen, Apr 2026, Hünfeld, Germany Communication dans un congrès hal-05604666v1
Immobilized redox enzymes on solid surfaces: Lessons from multiscale modelling approaches Sophie Sacquin-Mora 76th Annual Meeting of the International Society of Electrochemistry, Sep 2025, Mayence, Germany Communication dans un congrès hal-05253957v1
New players and metrics in challenging interfaces: the multiphosphorylated Tau-R2/tubulins complex as a case study for fuzzy interactions Jules Marien,Chantal Prévost,Sophie Sacquin-Mora XXIVème congrès du GGMM, 2025, Jun 2025, Forges-les-Eaux, France Communication dans un congrès hal-05110802v1
Immobilized enzymes on solid surfaces: Lessons from multiscale modelling approaches Sophie Sacquin-Mora International Workshop on Nanomaterials Applied to Life Sciences, Jun 2025, Paris, France Communication dans un congrès hal-05095747v1
Investigating the dynamics of protein-protein interfaces in well structured and fuzzy complexes Sophie Sacquin-Mora,Chantal Prevost ISQBP PRESIDENT’S MEETING 2024, May 2024, Athènes, Greece Communication dans un congrès hal-04642370v1
Modelling redox enzymes on solid surfaces : Lessons from multiscale approaches Sophie Sacquin-Mora Atelier thématique, Bioélectrochimie aux Frontières, Mar 2023, Marseille-Online, France Communication dans un congrès hal-04028399v1
From QM to coarse-grain, lessons from multiscale-modelling of redox enzymes Sophie Sacquin-Mora XVIIth GFB (Groupe Français de Bioélectrochimie ) Conference, Sep 2022, Saint Dié-des-Vosges, France Communication dans un congrès hal-03790569v1
Multiscale modeling approaches for the protein-solid interface Sophie Sacquin-Mora Journées Plénières du GDR EMIE, Jun 2022, Dunkerque, France Communication dans un congrès hal-03701647v1
Moving pictures: Reassessing docking experiments with a dynamic view of protein interfaces Sophie Sacquin-Mora,Chantal Prévost The ISQBP President’s Meeting 2021, Jun 2021, Strasbourg, France Communication dans un congrès hal-04061587v1
Determinants of neuroglobin plasticity highlighted by high pressure crystallography and crystallography under moderate gas pressure N Colloc'H,E Girard,T Prangé,P Carpentier,S Sacquin-Moraet al. 56th european high pressure research group meeting, Sep 2018, Aveiro, Portugal Communication dans un congrès hal-02267162v1
Determinants of neuroglobin plasticity highlighted by high pressure crystallography and crystallography under moderate gas pressure N Colloc'H,E Girard,T Prangé,P Carpentier,S Sacquin-Moraet al. 13th SOLEIL user's meeting, Jan 2018, Palaiseau, France Communication dans un congrès hal-02267167v1

Poster de conférence (8)

With or without disorder, MD simulations bring light on the dynamics of protein-protein interfaces Sophie Sacquin-Mora,Chantal Prevost,Jules Marien MDDB Conference, Feb 2026, Lausanne, Switzerland. Poster de conférence hal-05499577v1
Specific targeting of mannose receptors for Photodynamic Therapy Sina Geißler,Sophie Sacquin-Mora XXIVème congrès du GGMM, 2025, Jun 2025, Forges-les-Eaux, France Poster de conférence hal-05110836v1
Deciphering the fuzzy interaction between the Tau-R2 repeat and tubulin C-terminal tails with classical MD simulations Jules Marien,Chantal Prevost,Sophie Sacquin-Mora Rencontres ThéMoSiA-RCTF2024, Jun 2024, Rouen, France. 2024 Poster de conférence hal-04651473v1
It takes tau to tango: investigating the fuzzy interaction between the tau-R2 repeat and tubulin C-terminal tails Jules Marien,Chantal Prevost,Sophie Sacquin-Mora XXIIIème congrès du GGMM, May 2023, Toulouse, France Poster de conférence hal-04112694v1
Between two walls: Modeling the adsorption behavior of redox enzymes on bare and SAM-functionalised gold surfaces Sophie Sacquin-Mora,Nicolas Bourassin,Florent Barbault,Marc Baaden XXIIIème congrès du GGMM, May 2023, Toulouse, France Poster de conférence hal-04112652v1
MODELING THE NADPH OXIDASE (NOX) COMPLEX Burcu Aykac-Fas,Marie Erard,Oliver Nüsse,Sophie Sacquin-Mora,Antoine Taly XXIIIème congrès du GGMM, May 2023, Toulouse, France Poster de conférence hal-04112654v1
Modeling enzymes interacting with functionalized surfaces: lessons from multiscale modeling approaches Nicolas Bourassin,Florent Barbault,Marc Baaden,Sophie Sacquin-Mora 66th Biophysical Society Annual Meeting, 2022, San Francisco, United States. Biophysical Journal, 121 (3), pp.135a, 2022, ⟨10.1016/j.bpj.2021.11.2057⟩ Poster de conférence hal-05591793v1
Determinants of neuroglobin plasticity highlighted by high pressure crystallography and crystallography under moderate gas pressure. Thierry Prangé,E. Girard,Carpentier Philippe,S Sacquin-Mora,B Valloneet al. ESRF Usermeeting Symposium Opportunities in high pressure science at the ESRF, Feb 2018, Grenoble, France Poster de conférence hal-02266178v1

Pré-publication, Document de travail (3)

A comparative investigation of the mannose binding interface in DC-SIGN and MRC1 carbohydrate recognition domains with all-atom molecular dynamics simulations Sina Geissler,Sophie Sacquin-Mora 2026 Pré-publication, Document de travail hal-05465181v1
Menger_Curvature : a MDAKit implementation to decipher the dynamics, curvatures and flexibilities of polymeric backbones at the residue level Etienne Reboul,Jules Marien,Chantal Prévost,Antoine Taly,Sophie Sacquin-Mora 2025 Pré-publication, Document de travail hal-05338518v1
Hydrodynamic Radius Determination of Tau and AT8 Phosphorylated Tau Mutants: A Combined Simulation and Experimental Study Cynthia Lohberger,Jules Marien,Clarisse Bridot,Chantal Prévost,Diane Allegroet al. 2025 Pré-publication, Document de travail hal-05338487v1

Thèse (1)

Fluides nanoconfinés dans des systèmes de basse symétrie : Simulations et théorie Sophie Sacquin-Mora Analyse de données, Statistiques et Probabilités [physics.data-an]. Université Paris Sud - Paris XI, 2003. Français. ⟨NNT : ⟩ Thèse tel-00008790v1

HDR (1)

Représentations gros-grain pour la modélisation des protéines : Propriétés mécaniques et interactions Sacquin-Mora Sophie Chimie théorique et/ou physique. Université Paris-Diderot - Paris VII, 2011 HDR tel-00652917v1