Non-globular proteins in the era of Machine Learning

COST Action CA21160

CONFERENCE

3rd ML4NGP MEETING on Machine Learning and Non-globular proteins

May 20-23, 2025

Vilnius, Lithuania

welcome message

Welcome to the ML4NGP Meeting 2025!

We are thrilled to invite you to the 4th ML4NGP Meeting, taking place bewteen May 20–23, 2025, in the beautiful city of Vilnius, Lithuania.

This conference brings together researchers and innovators in the field of Non-Globular Proteins (NGPs) and Machine Learning tools. It’s a unique platform to explore advancements in:

  • Development of cutting-edge bioinformatic tools and databases
  • Studies on repeats, intrinsically disordered regions, low-complexity regions
  • Research on proteins prone to aggregation or phase separation

Whether you’re an experienced researcher or starting your journey, the ML4NGP Meeting offers a fantastic opportunity to present your work, network with peers, and exchange ideas with scientists from across Europe.

This event is hosted by the Amyloid Research Sector of the Life Science Centre, Vilnius University.

We look forward to welcoming you to Vilnius for an unforgettable experience!

information

Venue

VENUE

The ML4NGP Meeting 2025 will take place at the Artis Hotel, in Vilnius, Lithuania.

Artis Centrum Hotel****

Totorių g. 23, Vilnius, 01120 Vilniaus m. sav., Lithuania

CONFERENCE PROGRAM

Confirmed Keynote Speakers

Prof. John Moult

University of Maryland (USA)

Prof. Silvio Tosatto

University of Padova (IT)

Prof. Paul Robustelli

Dartmouth College (USA)

Prof. Ora Schueler-Furman

Hebrew University of Jerusalem (IL)

Prof. Alan M. Moses

University of Toronto (Canada)

Confirmed Invited Speakers

Lukas Stelzl, Johannes Gutenberg University Mainz, Germany

Joana Pereira, VIB and KU Leuven, Belgium

Sigrid Miles, Leibniz-FMP, Germany

Massimiliano Bonomi, Institut Pasteur, CNRS, France

Thorben Cordes, Technische Universität Dortmund, Germany

Michele Vendruscolo, University of Cambridge, UK

Pau Bernadó, CBS-CNRS, France

Meytal Landau, Deutsches Elektronen-Synchrotron DESY, Germany

Peter Tompa, VIB-VUB Center for Structural Biology, Belgium

Tiago Cordeiro, ITQB-NOVA University of Lisbon, Portugal

Andrei Lupas, Max-Planck-Institute for Biology, Tübingen, Germany

Arun Prasad Pandurangan, University of Cambridge, UK

Preliminary Program

Tuesday, May 20

08:00-09:00

Registration

09:00-09:15

Welcome Note

09:15-09:55

Keynote Talk

Title TBA | John Moult

09:55-10:25

Invited Talk

Conformational Dynamics of Intrinsically Disordered Proteins on the Surface of Gold Nanoclusters | Pau Bernadó

10:25-10:40

Selected Talk

On the diversity of disordered linkers in a family of multi-modular enzymes | Juan Cortes

10:40-11:10

Coffee Break

11:15-11:45

Invited Talk

Title TBA | Joana Pereira

11:45-12:00

Selected Talk

A paradigmatic example of multidomain protein studied by NMR spectroscopy: The nucleoprotein of SARS-CoV-2 | Marco Schiavina

12:00-12:15

Selected Talk

Maximum Entropy Method-Derived Conformational Ensembles: A FRET Perspective on a Floppy Foldase | Thomas-Otavio Peulen

12:15-12:30

Selected Talk

Molecular design features underlying nucleocytoplasmic transport | Barak Raveh

12:30-14:00

Lunch

14:00-15:00

WG meeting

15:00-16:30

Coffee Break and Discussion

16:30-16:45

Selected Talk

Integrative analysis of NMR and SAXS data aided with MD simulations to reveal dynamic structural features in the single alpha-helix of Drebrin | Soma Varga

16:45-17:00

Selected Talk

Proteome-wide Prediction of the Functional Impact of Missense Variants | Elodie Laine

17:00-17:15

Selected Talk

PETIMOT: A Novel Framework for Inferring Protein Motions from Sparse Data Using SE(3)-Equivariant Graph Neural Networks | Sergei Grudinin

18:00-21:00

Welcome Reception

Wednesday, May 21

08:00-09:00

Registration

09:00-09:40

Keynote Talk

Characterizing the Conformational Ensembles and Molecular Recognition Mechanisms of Intrinsically Disordered Proteins with Machine Learning | Paul Robustelli

09:40-10:10

Invited Talk

Atomic resolution ensembles of Intrinsically Disordered Proteins with Alphafold-2 | Massimiliano Bonomi

10:10-10:25

Selected Talk

Update on Alphafold problems for non-globular proteins | Dirk Linke

10:25-11:00

Coffee Break

11:00-11:30

Invited Talk

From accurate FRET studies on proteins to systematic assay design | Thorben Cordes

11:30-12:30

Flash Poster Presentations

12:30-14:00

Lunch

14:00-15:00

WG meeting

15:00-16:30

Coffee Break and Discussion

16:30-17:10

Keynote Talk

Unsupervised learning for non-globular proteins: everything I do gonna be zero-shot from now on | Alan M. Moses

17:10-17:40

Invited Talk

Studying intrinsically disordered proteins by NMR and single molecule FRET spectroscopy | Sigrid Miles

17:40-19:00

Poster Session I

Thursday, May 22

08:00-09:00

Registration

09:00-09:40

Keynote Talk

Confident modeling of non-confident interactions | Ora Schueler-Furman

09:40-10:10

Invited Talk

New protein fibers from the dark proteome | Andrei Lupas

10:10-10:25

Selected Talk

Repertoire of Side-chain Propelled Rings (SPuRs) in the C-terminal part of tau protein involved in aggregation | Rostislav Skrabana

10:25-11:00

Coffee Break

11:00-11:30

Invited Talk

Title TBA | Michele Vendruscolo

11:30-11:45

Selected Talk

Uncovering the effects of distinct membrane physical properties in tau binding to lipid vesicles and aggregation at the single-molecule level | Ana M. Melo

11:45-12:00

Selected Talk

Can AI and ML tackle the Configurational Integral of Tau Proteins? Or actually all proteins? | Radovan Dvorsky

12:00-12:15

Selected Talk

Structural Insights into Alpha-Synuclein Amyloid Fibril Polymorphism via Cryo-EM | Darius Sulskis

12:15-12:30

Selected Talk

Investigating the architecture and dynamics of Cdc48-cofactor interactions through structural mass spectrometry and integrative modeling | Tal Oppenheim

12:30-14:00

Lunch

14:00-14:30

Invited Talk

Virulent and antimicrobial amyloids | Meytal Landau

14:30-15:00

Invited Talk

Title TBA | Peter Tompa

15:00-16:00

Round-Table

Machine Learning Meets Disorder: Bridging Academia and Industry in Non-Globular Protein Research

16:00-16:30

Coffee Break

16:30-18:00

Poster Session II

19:00-22:00

Social Dinner

Friday, May 23

09:00-09:40

Keynote Talk

CAID-3 and beyond | Silvio Tosatto

09:40-10:10

Invited Talk

Title TBA | Arun Prasad Pandurangan

10:10-10:25

Selected Talk

Generating temperature-dependent structural ensembles of proteins with machine learning | Giacomo Janson

10:25-11:00

Coffee Break

11:00-11:30

Invited Talk

Title TBA | Lukas Stelzl

11:30-12:15

Selected Talk

Sequence Features of IDRs Shape Linker Ensembles in the Context of Folded Domains | Hamidreza Ghafouri

11:30-12:15

Selected Talk

GeomeTRe: A Python package for accurate estimation of geometrical parameters of Structured Tandem Repeat Proteins (STRPs) | Zarifa Osmanli

11:30-12:15

Selected Talk

LCRPlatform: A Comprehensive Metaserver for Functional and Evolutionary Exploration of Low-Complexity Regions | Aleksandra Gruca

12:15-13:45

Lunch

13:45-14:15

Invited Talk

Dynamic ensembles of SARS-CoV-2 N-protein reveal head-to-head coiled-coil-driven oligomerization and phase separation | Tiago Cordeiro

14:15-14:45

Selected Talk

Scanning coiled-coil fibers piecewise reveals local folding propensities | Mikel Martinez Goikoetxea

14:15-14:45

Selected Talk

Energetic Frustration as a Determinant of Intrinsic Disorder in Proteins | Edgar Pedro Chacón Sánchez

14:45-15:00

Closing Remarks

ORGANIZATION

LOCAL ORGANIZING COMMITTEE

Darius Šulskis, Vytautas Smirnovas, Mantas Žiaunys, Andrius Sakalauskas, Kamilė Mikalauskaitė and Rūta Sniečkutė from the Institute of Biotechnology, Life Sciences Center, Vilnius University, Lithuania

SCIENTIFIC COMMITTEE

Core Group of ML4NGP COST Action

contact information

Information and inquiry: info@ml4ngp.eu

SPONSORS

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