Dr. Samuel Murail
Molecular Dynamic Simulations
  • Protein, Membrane and Peptide
  • Data Analysis & Visualisation

Oral Communications:

  1. Simulated Solute Tempering 2.
    AMMIB, Atelier de Modélisation des Molécules d'Intérêt Biologique de Paris-Saclay. ENS Paris-Saclay, France. Avril 2024.
  2. Evaluation of the prediction of amyloid fibrillar structures by AlphaFold 2.
    AMMIB, Atelier de Modélisation des Molécules d'Intérêt Biologique de Paris-Saclay. I2BC Gif sur Yvette, France. Avril 2023.
  3. Protein-peptide interactions and peptide design.
    GDR MéDynA « Mécanismes et dynamiques de formation des assemblages protéiques» Fournols, France. Octobre 2019.
  4. MD simulation combined to fragment based approach for protein-peptide complex structure prediction.
    Challenges in Large Scale Biomolecular Simulations 2019: Bridging Theory and Experiments. CECAM Workshop. Cargèse, France. Mai 2019.
  5. MD simulation combined to fragment based approach for protein-peptide complex structure prediction
    60 ans du Laboratoire de Biochimie Théorique. Paris, France. Avril 2019.
  6. Peptide folding in isolation or in interaction: the limits of the sOPEP CG representation and insights from MD simulations.
    Protein-peptide interactions CECAM Workshop. Paris, France. October 2018.
  7. Water permeation across artificial I-quartet membrane channels: from structure to disorder.
    Artificial Water Channels Faraday Discussion. Glasgow, UK. June 2018.
  8. Deciphering anesthetic action of Noble gases through their modulation of membrane protein and lipid bilayer properties
    20ème congrès du GGMM. Reims, France. May 2017.
  9. Modeling selective water transport across membrane, application to the design of synthetic channels.
    GDR 3696 « Protéines Membranaires : Aspects Moléculaires et Cellulaires ». Var, France. April 2016.
  10. Cys-loop receptor gating: allosteric modulation by lipids and drugs
    24ème congrès de la Société Francaise de Biophysique. Guétary, France. Novembre 2014.
  11. Atomic-scale insights into Cys-loop receptor structure and function.
    Journées Modélisation, Paris, France. September 2014.
  12. Gating mechanism of Ligand-Gated ion channels. Microsecond simulations reveal atomic details of GLIC’s closing process.
    18ème congrès du GGMM. Ile d’Oléron, France. May 2013.
  13. Structural basis for ion permeation mechanism in pentameric ligand-gated ion channels
    GDR 3334 « Assemblages supramoléculaires et membranes biologiques ». Fournols, France. Octobre 2012.
  14. Ion permeation mechanism in pentameric ligand-gated ion channels
    Journées Modélisation à Paris, France. June 2012.
  15. High resolution structure combined with in silico studies, gives new insights into pentameric channel permeation
    10ème Entretiens de l'IBPC. Paris, France. March 2012.
  16. Interaction between VIP and the N-terminal domain of the VPAC1 receptor, a class B GPCR
    GFPP Annual meeting (peptides and proteins), Dinard, France, May 2007.

Selected Poster Communications: