Numerical simulation studies of the structural dynamics of nuclear receptors
Subgroup Leader : Roland STOTE
				
				
			The immense variety of processes that occur in a living organism rely on molecular interactions between biological molecules and their ligands. Using computational approaches, we study molecular recognition processes, which allow us to characterize the dynamics and interactions of protein-protein, protein-ligand and protein-DNA complexes. We also seek to characterize and understand the mechanisms of large macromolecular complex assembly and to deepen our understanding of the structural and dynamic consequences of these constructs. For example, we are trying to elucidate how molecular signals are transmitted in biomolecular systems. Recent applications focus on the nuclear receptor super family, which are ligand-induced transcription factors that play a role in complex processes such as differentiation, development and homeostasis of the cell. We study the interplay between ligand binding, structural changes and allostery in these receptors. These projects are developed in collaboration with experimental groups of IGBMC and others. These studies provide important information that can be used in rational drug design projects developed at the interface between groups of molecular biology, biophysics and organic synthesis.
PhD Students
 Fanny Krebs (12/2016)
 Jerome Eberhardt (2012-2016)
 Ismail Amal, (2010-2013)
  Syrine Beji (2017-2020)
 Sandra Chalhoub (2017-2020)
 Anna Belorusova (2011-2015)
 Maria-Giovanna Ferrario (2006-2010)
 Cédric Grauffel (2005-2009)
 Elyette Martin (2005 -2008)
 Thomas Gaillard (2004-2007)
 Michael Oberlin (2004-2008)
 Jérémy Fidelak 2003-2006
 Martina Schechner  (-2005)
 Hervé Muller, 2002-2005.
 Virginie Lafont (1999-2004)
 Finton Sirockin (1998-2003)
 Nathalie Reuter (1997-1999)
 Carol Burgess (1996-1999)
  
  
Post-doc
 Dr. Natacha Gillet, 2019
 Dr. Yoann Cote
 Dr. Anna Belorusova (2016)
 Dr.Rita Siguiero (2015)
 Dr. Jérémy Esque
 Dr. Karine Voltz
 Dr. Yassmine Chebaro
 Dr. Benjamin Schwartz
 Dr. Gautier Moroy
 Dr. Gino Marchetti
 Dr. Silvia Ferrer
Experimental biophysics and structural biology of nuclear receptor proteins
 Computational biophysics and molecular modeling of nuclear receptor proteins

Her work, supervised by Dr. Roland H. Stote and Prof. Annick Dejaeger, is entitled: “Structural dynamics of the nuclear receptor PPARgamma.” …
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Retinoid Signaling Pathways ; Page: 235-260
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Journal of Medicinal Chemistry ; Volume: 63 ; Page: 9457 - 9463