Monday 9th
14.15-14.30 Welcome
14.30-15.00 Gabriella Heller (UCL, UK)
Small-molecule binding to disordered proteins
15.15-15.45 Gianluca Lattanzi (UniTn)
Exploring Biological Complexity through Molecular Simulations
16.00-16.30 Davide Mazza (U. San Raffaele, Milano)
Probing transcription factors at single molecule level in living cells: search mechanism and non-equilibrium kinetics
coffee break
17.00-17.30 Alessandro Angelini (UniVe)
Synergistic evolution of macrocyclic peptide ligands: combining in vitro and in silico approaches
17.45-18.15 short talks:
Fabio Mazza (UniTn), Decoding the Functional Impact and Epistatic Interactions of Germline and Somatic Variants in Cancer.
Michele Monti and Jonathan Fiorentino (IIT) Interpretability vs black boxes in protein encoding
Tuesday 10th
9.00-9.30 Elizabeth Proctor (U. of Virginia)
Neuroimmune response to amyloid-β deposition negatively impacts neural circuit activity in Alzheimer’s disease
9.45-10.15 Francesco Aprile (Imperial College, UK)
Integrative nanobody discovery to target protein aggregates
10.30-11.00 Giovanni Bussi (Sissa)
A physics-based model to reconstruct RNA dynamics based on chemical probing data
coffee break
11.30-12.00 Eli Slenders (IIT Genova)
Fluorescence lifetime fluctuation spectroscopy for the study of biomolecular condensates
12.15-12.45 short talks:
Giovanni Novi Inverardi (UniTn) Adsorption of silica oligomers on biomolecules: Structural and dynamical insights for atom probe tomography via classic MD simulations
Ottavia Schulte (UniRoma1) Functional bottlenecks can emerge from non-epistatic underlying traits
lunch break
14.30-15.00 Cristian Micheletti (Sissa)
When knots and plectonemes: DNA translocation with a twist
15.15-15.45 Nicoletta Plotegher (UniPd)
Nanobodies as allosteric modulators of glucocerebrosidase activity and stability: a novel therapeutic approach for Parkinson’s and Gaucher disease?
16.00-16.30 Pietro Sormanni (Imperial College, UK)
Antibody discovery and Engineering by Computational Design
coffee break
17.00-17.45 short talks:
Enrico Formasa (Sissa), Scalable Monte Carlo Assembly of polymer melts
Giulia Milordini (IIT) “Computationally-designed aptamers targeting RAD51-BRCA2 interaction”
Alessia Guadagnin Pattaro (UniTn) Functional Residues and Allosteric Pathways of Current and Ancestral Steroid Receptors highlighted using Information Theory
Wednesday 11th
9.00-9.30 Fabrizio Chiti (UniFi)
Polymorphism of amyloid fibrils in the Amyloid Atlas. Comparison with predictive algorithms
9.45-10.15 Paolo De Los Rios (EPFL, Switzerland)
The two-step force-generating mechanism of Hsp70
10.30-11.00 Nick Gilbert (U. of Edinburgh)
Understanding a crystalline to liquid-like phase transition in chromatin
coffee break
11.30-12.00 Nikolay Dokholyan (U. of Virginia)
Nanocomputing Agents — Hacking Cellular Behavior
12.15-12.45 Stefania Brocca (UniMib)
Engineering condensate stability: from charge patterning design to non-native solvent tolerance
lunch break
14.30-15.00 Francesco Zamponi (La Sapienza)
Emergent time scale of epistasis in protein evolution
15.15-15.45 Benedetta Bolognesi (Barcelona)
Deep mutagenesis to extract mechanistic insights into amyloid transition states
16.00-16.30 Riccardo Capelli (UniMi)
Mechanistic insights on Class A GPCRs activity from Constant-pH Simulations
coffee break
17.00-17.45 short talks:
Waad AlBawardi (Edinburgh) Nucleosome positioning modulates chromatin dynamic and phase behaviour
Davide Revignas (UniPd), Entangled motifs impose specific constraints on good-folding sequences in lattice protein models.
Olivier Languid-Cattoën (SISSA), Sampling and validation of RNA-Mg²⁺ binding sites with Molecular Dynamics
Thursday 12th
9.00-9.30 Gian Gaetano Tartaglia (IIT)
Aptmers for protein aggregation inhibition
9.45-10.15 Alfonso De Simone (UniNa)
Elucidating the Role of Protein Disorder in Aggregation and Phase Separation
10.30-11.00 Matteo Cagiada (Copenhagen and Oxford)
Towards improved predictions of protein dynamics: from side-chain motions to loop flexibility using generative models
coffee break
11.30-12.00 Roberto Battistutta (UniPd)
Dynamics and allostery from the crystal structure ensamble of SARS-CoV-2 Mpro
12.15-12.45 short talks:
Salvatore Di Marco (SISSA), Toward Efficient RNA Sampling: Refining Solute Tempering Protocols
Nicola Perotti (UniTn), Designing High-Affinity YTH Mutants for Sequence-Specific RNA Recognition