Non-globular proteins in the era of Machine Learning

COST Action CA21160

ML4NGP WORKSHOP

Resources and infrastructure to explore the continuum between globular and non-globular proteins

March 18-19, 2025

Barcelona, Spain

DESCRIPTION

The workshop is strategically scheduled just before the start of the Elixir 3DBioinfo 2025 meeting, providing an excellent opportunity to discuss the challenges and opportunities in exploring the continuum between globular and non-globular proteins, including IDPs, tandem repeat proteins, protein aggregation, and more. Our goal is to identify commonalities and foster synergies among key resources and databases such as CATH, TED, PDBeKB, PFAM/InterPro, MobiDB, PED, DisProt, Aggrescan4D and RepeatsDB.

The workshop will also serve as a platform to discuss examples provided by ML4NGP members in which AlphaFold predicts biologically incorrect models. The goal of this project is to produce a community paper to caution scientists against blindly accepting AlphaFold results without critical evaluation.

Participants

  • Gonzalo Parra, Barcelona Supercomputing Center, Spain
  • Alexander Monzon, University of Padova, Italy
  • Silvio Tosatto, University of Padova, Italy
  • Maria Cristina Aspromonte, University of Padova, Italy
  • Christine Orengo,  University College London, UK
  • Nicola  Bordin, University College London, UK
  • Gabor Erdos, Eötvös Loránd University, Hungary
  • Salvador Ventura, Autonomous University of Barcelona, Spain
  • Javier Garcia-Pardo, Autonomous University of Barcelona, Spain
  • Typhaine Paysan-Lafosse, European Bioinformatics Institute, UK
  • Jennifer Fleming, European Bioinformatics Institute, UK
  • Juan Cortes, LAAS-CNRS, France
  • Miguel Andrade, Johannes Gutenberg University, Germany
  • Zarifa Osmanli, University of Padova, Italy
  • Sofia Duarte, Universidad Nacional del Litoral, Argentina
  • Khalil  Joron, Hebrew University of Jerusalem, Israel
  • Pablo Mier, Universidad Pablo de Olavide, Spain
  • San Hadži, University of Ljubljana, Slovenia
  • Isabella Felli, CERM, University of Florence, Italy
  • Oriol Barcenas, Autonomous University of Barcelona, Spain
  • Rafayel Petrosyan, American University of Armenia, Armenia
  • Viktor Bartošík, Masaryk University, Czech Republic
  • Gavin Farrell, Italy

PRELIMINARY PROGRAM

MARCH 18, 2025

9:00 – 9:15

Registration & Welcome desk

Sign the COST Action attendance sheet

Welcome Note

9:15 – 9:30

Introduction

9:30 – 10:00

Tour de table and discussion of overall approach

Session 1: AlphaFold “failing” examples discussion

10:00 – 11:00

Short talks (5 min)

Q&A

11:00 – 11:30

Coffee break

11:30 – 13:00

Defining Action Items and responsibilities to write a community paper

13:00 – 14:30

Lunch break

Session 2: DBs synergies – Tandem Repeats and Protein Domain databases

14:30 – 16:00

Short talks (10-15 min)

Q&A

16:00 – 16:30

Coffee break

16:30 – 18:00

Discussion

MARCH 19, 2025

Session 3: DBs synergies – Disordered and globular protein databases

9:30 – 11:00

Short talks of each DB

Q&A

11:00 – 11:30

Final Discussion and Future Activities

Location & venue

VENUE

Barcelona Supercomputing Center

Plaça d’Eusebi Güell, 1-3, Les Corts, 08034 Barcelona

ORGANIZATION

Scientific COMMITTEE

Gonzalo Parra, Barcelona Supercomputing Center, Spain

Alexander Monzon, University of Padova, Spain
Silvio Tosatto, University of Padova, Spain

This event is part of the activities of the COST Action ML4NGP, CA21160, supported by COST (European Cooperation in Science and Technology).