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

About Me

I am an Associate Professor at Université de Paris and member of the CMPLI lab.

After studying bioinformatics and biophysics at Paris-Diderot University, I obtained a PhD in molecular biophysics on the molecular mechanisms of ligand-membrane protein interactions.
I then carried out a first post-doc at the University of Stockholm on the action of anesthetics on ionotropic channels. Then I obtained a scholarship from the Pierre-Gilles de Gennes Foundation to study at the IBPC (Paris) the opening/closing mechanisms of these same channels.
Later I worked for Air Liquide on the action of volatile anesthetics. In September 2017, I joined the MTi laboratory (Molecules Therapeutics in-silico, renamed in 2019 CMPLI) as a lecturer.
My work now focuses on the characterization and prediction of protein-peptide interactions by molecular dynamics simulation.

Academic Research

2017 - present
Associated Professor
Université de Paris Cité
CMPLi (Computational Modeling of Protein Ligand Interactions)
2015 - 2017
Post-Doctoral fellow
Air Liquide
Project: Anesthetic action of Noble Gases.
2011 - 2015
Post-Doctoral fellow
IBPC / Pasteur Institute
Project: Investigation of permeation and gating of Ligand Gated Ion Channels by Molecular dynamic simulation.
2008 - 2011
Post-Doctoral fellow
Stockholm University / KTH
Project: Molecular dynamic simulation of Ligand Gated Ion Channels. Anesthetics/alcohol interactions and ion selectivity.
2004 - 2008
Ph.D. student
CEA
Thesis: "Molecular mecanism of ligand-membrane protein interaction. Biophysical study of a GPCR, VPAC1 and the peripheral-type benzodiazepine receptor (PBR). NMR and MD simulations studies."