The workshop “ML and AI in structural biology: Looking beyond AlphaFold2/RosettaFold for remaining blindspots” will take place from 11/14 to 11/16 at the Institut de Biologie Physico-Chimique in Paris.

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)

Monday

Introduction: 9:30-10 

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

• Amelie Stein  (Copenhagen, via zoom)
• Marc Graille (CNRS/Polytechnique) “Impact of AlphaFold2/RosettaFold models to solve the phase problem in X-ray crystallography “

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

• Jessica Andreani (CEA) “AI for the prediction of protein complex structures: overview, examples and perspectives”
• Thibault Tubiana (I2BC) “Get to know your protein better with AlphaFold, example with HEV's ORF1.”

Workshop (15h45-17h45):

NOX #1 : Experimentalists: Marie Erard, Oliver Nüsse

Accompanying modeling expert: Burcu Aykac Fas

Speakers’ Dinner

Tuesday 

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

• Isabelle Callebaut (CNRS/SU) "Low confidence predictions of AlphaFold : disorder and beyond"
• Tatiana Galochkina (U. Paris Cité)

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

• Zoe Cournia (Athens) "Predicting protein-membrane interfaces using ensemble machine learning and molecular simulations"

Workshop: 

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

Accompanying modeling expert: Hubert Santuz

MCTP (15h45-17h45): Experimentalists:  Emmanuelle Bayer, Marie-Cécile Caillaud

Accompanying modeling expert: Sujith Sritharan

Workshop’ Dinner 

Wednesday

Workshop:

Fzo1 (10-12): Experimentalists: 

Accompanying modeling expert: Raphaelle Versini

Session #4: 

Presentation of workshop sessions’ outputs (14-15)

Roundtable (15-16)

If you want to see the conferences associated with the workshop but can't join us for the 3 days we have a registration form just for you!

https://framaforms.org/ml-and-ai-in-structural-biology-conferences-only-registration-1662623080 

Drop us your email there, we will then send you the zoom link ahaead of the workshop.