Mercredi 24 Mai 2023 ◘ Wednesday, May 24, 2023
|
| 15:30 - 16:00 |
Reception of participants |
| 16:00 - 16:15 |
Welcome and presentation by the organizers |
| SESSION I |
Overview and history of ML in structural biology |
| 16:15 - 17:00 |
History of structure prediction - outline of challenges and approaches |
| Jessica ANDREANI (CEA, Paris, France) |
| 17:00 - 17:30 |
Coffee break |
| 17:30 - 18:15 |
Development and description of RoseTTAFold/ Protein desi |
| David JUERGENS (Baker lab, University of Washington, USA) |
| 18:15 - 19:00 |
AlphaFold two years on: application, impact, and future development |
| Oleg KOVALEVSKIY (DeepMind, London, United Kingdom) |
| 19:30 |
Dinner |
| |
|
Jeudi 25 Mai 2023 ◘ Thursday, May 25, 2023
|
| 06:30 - 08:30 |
Breakfast |
| SESSION II |
ML applications in structure determination |
| 08:30 - 09:15 |
Applications to connect ML with X-ray/Cryo-EM structure determination/ bottom up structure biology |
| Tom TERWILLIGER (New Mexico Consortium, Los Alamos, USA) |
| 09:15 - 10:00 |
ML with high-throughput workflow |
| Panagiotis KASTRITIS (Martin Luther University Halle-Wittenberg, Germany) |
| 10:00 - 10:30 |
Coffee break |
| 10:30 - 11:15 |
AI to help with NMR, predict intrinsic disorder and folding upon binding |
| Malene RINGKJØBING JENSEN (IBS Grenoble, France) |
| 11:15 - 12:00 |
DeepEMhancer: a deep learning solution for cryo-EM volume post-processing |
| Carlos SORAZANO (Centro Nacional de Biotecnología-CSIC, Madrid, Spain) |
| 12:00 - 14:00 |
Lunch |
| SESSION III |
ML for complexes and drug design |
| 14:00- 14:45 |
Prediction of complexes |
| Christian CAMBILLAU (University College Cork, Ireland) |
| 14:45 - 15:30 |
ML and mass spectroscopy protein-nucleic acid interactions |
| Richard SCHELTEMA (Utrecht University, Netherlands) |
| 15:30 - 16:00 |
Coffee Break |
| 16:00 - 16:55 |
Modeling large complexes |
| Jan KOSINSKI (EMBL Hamburg, Germany) |
| 16:45 - 17:30 |
An Industry perspective to using AI in drug design |
| Matthias HAFFKE (Novartis, Basel, Switzerland) |
| 17:30 - 18:30 |
Round Table Discussion |
| 19:30 - 20:15 |
Cocktail |
| 20:15 |
Dinner |
| |
|
Vendredi 26 Mai 2023 ◘ Friday, May 26, 2023
|
| 06:30 - 08:30 |
Breakfast |
| SESSION IV |
Future of ML in structural biology |
| 08:30 - 09:15 |
General overview of applications and limitations |
| Alex BATERMAN (EMBL-EBI, Cambridge, United Kingdom) |
| 09:15 - 10:00 |
AI to generate ligands/protein design through prediction of function |
| Joseph ROGERS (University of Copenhagen, Denmark) |
| 10:00 - 10:30 |
Coffee Break |
| SESSION V |
Industrial hurdles : Bioproduction, quality control, toxicology, regulatory issues |
| 10:30 - 11:15 |
Available resources and recommended practices for working with predicted models |
| Preeti CHOUDHARY / Deborah HARRUS (PDBe-EBI, Cambridge, United Kingdom) |
| 11:15 - 12:00 |
Publishing work that uses AI predictions |
| Sarah OSMAN (Nature Publishing, United Kingdom) |
| 1200 - 14:00 |
Lunch |
| 14:00 |
Departure |
