Non-globular proteins in the era of Machine Learning

COST Action CA21160

CONFERENCE

THIS EVENT HAS PASSED.

2nd ML4NGP MEETING on Machine Learning and Non-globular proteins

May 14-17, 2024

Thessaloniki, Greece

Panoramic views of Thessaloniki, Greece (royalty free images).

welcome message

The 2nd ML4NGP MEETING 2024 will take place from 14 to 17 May in Thessaloniki (Greece). This conference will provide a fantastic opportunity for computational researchers and experimentalists to present and discuss current developments in Machine Learning tools and their applications for the study of non-globular proteins.

This meeting is co-organized in the framework of COST ACTION CA21160 Non-globular proteins in the era of Machine Learning – ML4NGP and MSCA-RISE REFRACT GA823886. 

Group photo with the participants and speakers of the second ML4NGP meeting held in Thessaloniki, Greece from 14 to 17 May 2024.

abstract information

The abstract should have a maximum of 400 words consisting of a brief and concise summary of the background/motivation for the study, methods, and result(s), as well as conclusions/statements of significance. The abstract is submitted through the submission form. Applicants may choose to have their submission considered for talk and poster or poster only. Abstracts that are not selected for the talk will be considered for a poster.

*A few poster abstracts will be selected to give a flash presentation during the symposium.

Location & venue

The 2nd ML4NGP Meeting 2024 will take place at the five-star Onoma Hotel, in Thessaloniki, Greece

THESSALONIKI

Thessaloniki is the second largest city in Greece with a rich historical tapestry that dates back to ancient times. From the iconic White Tower to the lively Aristotelous Square, Thessaloniki captivates with its vibrant street life, cultural events, and a welcoming fusion of traditional and modern elements.

Find more about the beautiful city at the official webpage: https://thessaloniki.gr

VENUE

The Onoma Hotel offers a unique experience for events and meetings with a stylish home-like decor, flooded with natural light, surrounded by homey objects, any event becomes exciting and un-boring. Onoma Hotel is approximately 17 kilometers from Thessaloniki Airport Makedonia.

Onoma Hotel****

24 Monastiriou Str
Thessaloniki, Greece 54629

Tel. 30 2310-2314423300

CONFERENCE PROGRAM

Confirmed Speakers

Prof. Michele VENDRUSCOLO

University of Cambridge, UK

Prof. Christine ORENGO

University College London, UK

Dr. Andrei Lupas

Max Planck Institute for Biology Tübingen, ELIXIR, UK, Germany

Prof. Christos A. Ouzounis

Centre for Research and Technology Hellas, Thessaloniki, Greece

Final Program

Monday, May 13

16:00-18:00

Registration

18:00-19:30

Core Group Meeting (close session)

Tuesday, May 14

08:00-09:30

Registration

09:30-09:40

Opening Session

WG1 SESSION – Primary experimental data generation

09:40-10:20

Keynote Lecture

What does AlphaFold reveal about the folded regions in the protein universe? 

Christine Orengo

10:20-10:40

Short Talk

Structural studies of mineral interactions with intrinsically disordered magnetosome-associated proteins

Raz Zarivach

10:40-11:10

Coffee Break

11:10-11:30

Short Talk          

Spider silk: from NMR structural studies to mechanism of formation and high-performance artificial fibres

Kristaps Jaudzems

11:30-11:50

Short Talk

A disordered loop in a bacterial adhesin can form a poly-proline II helix upon binding to heparin

Dirk Linke

11:50-12:10

Short Talk

The role of environment in amyloid aggregation

Vytautas Smirnovas

12:10-12:30

Short Talk

Cryo-EM structures of functional and pathological amyloid ribonucleoprotein assemblies

Javier Garcia Pardo

12:30-14:00

Lunch

14:00-15:40

WG1 meeting

15:40-16:10

Coffee Break

16:10-16:40

Selected Talk

The Cys sense: Regulation of cellular proliferation and protein homeostasis through redox-switch proteins

Dana Reichmann

16:40-17:00

Short Talk

Hidden flexible state(s) of sigma-1.1 domain of RNA polymerase

Pavel Kaderavek

17:00-18:10

Flash Poster Presentations

18:10-19:00

WG5 meeting and activities

19:00-21:00

Welcome Reception

Wednesday, May 15

WG 2 SESSION – Integrative structural biology with machine learning-based approaches

09:30-10:10

Keynote Lecture

Sequence-Based Drug Discovery  for Disordered Proteins

Michele Vendruscolo

10:10-10:30

Short Talk

Weighted families of contact maps to characterize conformational ensembles of (highly-)flexible proteins

Juan Cortes

10:30-10:50

Short Talk          

Development of machine learning algorithms for the prediction of the binding affinity between peptides and their target proteins

Kanin Wichapong

10:50-11:20

Coffee Break

11:20-11:50

Selected Talk

Combined use of NMR spectroscopy and computation to understand protein phase separation

Markus Zweckstetter

11:50-12:10

Short Talk

Pioneer factor Sox2 remodels nucleosomes and displaces histone H1

Sveinn Bjarnasson

12:10-12:30

Short Talk

Residue Interaction Network Generator v4: improved interaction recognition for all 35,000 PDB chemical components

Alessio Del Conte

12:30-14:00

Lunch

14:00-15:40

WG2 meeting

15:40-16:10

Coffee Break

16:10-16:30

Short Talk

FAIR Research Software as the catalyst for trustworthy AI in Life Science

Fotis Psomopoulos

16:30-16:50

Short Talk

Understanding specific interactions in phase-separated Germ granules by multi-scale simulations

Vasileios Xenidis

16:50-17:10

Short Talk

Local Energetic Frustration and Intrinsic Protein Disorder

Gonzalo Parra

17:10-17:30

Short Talk

Disorder of disease-related proteins – a case study of IGDD

Jovana Kovacevic

17:30-19:00

Poster Session I

Thursday, May 16

WG 3 SESSION – ML predictors and methods in the NGP field

09:30-10:10

Keynote Lecture

The virtual proteome of life: What is it and why should we care?

Andrei Lupas

10:10-10:30

Short Talk

Transferable deep generative modeling of intrinsically disordered protein structural ensembles

Giacomo Janson

10:30-10:50

Short Talk          

Developing machine-learning-based amyloid predictors with Cross-Beta DB

Valentin Gonay

10:50-11:20

Coffee Break

11:20-11:50

Selected Talk

Data-driven modeling of the intrinsically disordered proteome

Giulio Tesei

11:50-12:10

Short Talk

Automatic Classification of Units in Tandem Repeat Proteins

Michela Quadrini

12:10-12:30

Short Talk

LCR-dataset: manually curated benchmark for training and fine-tuning language models to retrieve information on Low Complexity Regions and its functional annotations from scientific literature

Aleksandra Gruca

12:30-14:00

Lunch

14:00-15:40

WG3 meeting

15:40-16:10

Coffee Break

16:10-16:40

Selected Talk

Critical assessment of protein intrinsic disorder prediction (CAID) – Results of round 3

Damiano Piovesan

16:40-17:00

Short Talk

Deciphering Allosteric Pathways

Turkan Haliloglu

17:00-17:20

Short Talk

Optimizing energy functions with neural networks

Gabor Erdos

17:20-19:00

Poster Session II

19:30-21:00

Social Dinner

Friday, May 17

WG 4 SESSION – functional characterization of NGPs

09:30-10:10

Keynote Lecture

From structure-function and globular proteins to non-globular proteins and the functional dark matter

Christos Ouzounis

10:10-10:30

Short Talk

aSynPEP-DB: a database of biogenic peptides for inhibiting α-synuclein aggregation

Carlos Pintado Grima

10:30-10:50

Short Talk          

From interaction networks to interfaces, scanning intrinsically disordered regions using AlphaFold2

Diego Javier Zea

10:50-11:20

Coffee Break

11:20-11:50

Selected Talk

Blending Biology, Chemistry and AI to Enable Personalized Systems Pharmacology

Patrick Aloy

11:50-12:10

Short Talk

Folding-upon-binding pathways of an intrinsically disordered protein from a deep Markov state model

Thomas Sisk

12:10-12:30

Short Talk

Exploring the biophysical boundaries of protein families with deep learning methods

Miriam Poley

12:30-14:00

Lunch

14:00-15:40

WG4 meeting

15:40-16:10

Coffee Break

16:10-16:30

Short Talk

Perturbation modelling across single-cell omic modalities

Georgios Gavriilidis

16:30-16:50

Short Talk

MAVISp, a modular structure-based framework for protein variant interpretation: current and future developments for supporting non-globular proteins

Matteo Arnaudi

16:50-17:10

Short Talk

Classification and prediction of amyloid-forming propensity of amino acid sequences

Rafayel Petrosyan

17:10-17:30

Short Talk

Voronoi tessellation-based analysis of 3D conformations of non-globular proteins

Kliment Olechnovic

17:30-17:50

Closing Remarks

ORGANIZATION

LOCAL ORGANIZING COMMITTEE

Fotis Psomopoulos, Centre for Research and Technology Hellas, Thessaloniki, Greece

Elena Bakoglidou, Centre for Research and Technology Hellas, Thessaloniki, Greece

Anastasia Chasapi, Vidavo S.A, Thessaloniki, Greece

SCIENTIFIC COMMITTEE

Alexander Miguel Monzon, ML4NGP chair, Department of Information Engineering,  University of Padua, Italy

Core Group of ML4NGP COST Action

contact information

Information and inquiry: info@ml4ngp.eu

CONSORTIA

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