Illustration of machine learning and artificial intelligence in structural biology (by pixray AI)

Workshop description

The workshop is aiming to regroup experimentalists and theoretical groups to discuss advances but also limitations in the performance and use of those tools. We will in particular explore i) Use in experimental pipelines / integrative structural biology; ii) Membrane proteins; iii) intrinsically disordered proteins/domains; iv) Post-Translational Modifications; v) Oligomers.

The schedule is planned to be organized around two activities: 

  • lectures by invited speakers 
  • interactive exploration of models obtained with alphafold2 and RosettaFold in our visualization room (allowing 3D +/- VR). These events in smaller groups are intended to  allow an interdisciplinary dialogue.


 invited speakers:

  • Zoe Cournia (Athens)
  • Amelie Stein (Copenhagen)
  • Tatiana Galochkina (U. Paris Cité)
  • Marc Graille (CNRS/Polytechnique)
  • Jessica Andreani (CEA)
  • Thibault Tubiana (I2BC)
  • Isabelle Callebaut (CNRS/SU)



Introduction: 9:30-10 

session #1 (10-12): Use in experimental pipelines

  • Amelie Stein  (Copenhagen, via zoom)
  • Marc Graille (CNRS/Polytechnique)

session #2 (13h30-15h30): Oligomers

  • Jessica Andreani (CEA)
  • Thibault Tubiana (I2BC)


Workshop (15h45-17h45):

NOX #1 : Experimentalists: Marie Erard, Oliver Nüsse

Accompanying modeling expert: Burcu Aykac Fas


Speakers’ Diner



session #2 (9-10:45) Intrinsically disordered proteins/domains :

  • Isabelle Callebaut (CNRS/SU)
  • Tatiana Galochkina (U. Paris Cité)


session #3 (11-11:45) Membrane proteins:

  • Zoe Cournia (Athens)



NOX #2 (13h30-15h30): Experimentalist: Sana-zineb Aimeur

Accompanying modeling expert: Hubert Santuz


MCTP (15h45-17h45): Experimentalists:  Emmanuelle Bayer, Patrick Ziqiang Li, Marija Smorkvarska, Marie-Cécile Caillaud

Accompanying modeling expert: Sujith Sritharan


Workshop’ Diner 




Fzo1 (10-12): Experimentalists: 

Accompanying modeling expert: Raphaelle Versini


Session #4: 

Presentation of workshop sessions’ outputs (14-15)

Roundtable (15-16)


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