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Displaying 20 speakers out of 20
ALDO GLIELMO (SISSA, Italy)
The information imbalance, a tool to quantify the relative information content of feature spaces
ALEJANDRO GARCIA RODRIGUEZ (ICTP, Italy)
Clustering Molecular Data
ALESSADRO LAIO (SISSA, Italy)
Enhanced sampling in Molecular Dynamics: Why is it necessary?
ALI HASSANALI (ICTP, Italy)
Why the solvent bath matters in Biology
Closing remarks
ANDREA CESARI (Allianz, Italy)
My first job
ANGELO ROSA (SISSA, Italy)
Chromosome folding: Lessons from polymer physics
ANGELO SPINELLO (SISSA, Italy)
QM/MM Simulations in Enzymatic Systems and Drug Discovery
CRISTIAN MICHELETTI (SISSA, Italy)
From natural to synthetic molecular knots
GIOVANNI BUSSI (SISSA, Italy)
RNA dynamics from molecular simulations and solution experiments
MATTEO BECCHI (SISSA, Italy)
Self-assembly of molecules with non-trivial topology
MATTEO CARLI (SISSA, Italy)
Estimating high-dimensional free energies without collective variables
MATTIA ALBERTO UBERTINI (SISSA, Italy)
A computational model for melts of polymer ring with unconstrained topology
MATTIA BERNETTI (SISSA, Italy)
Reweighting of molecular simulations with explicit-solvent SAXS restraints elucidates ion-dependent RNA ensembles
NARJES ANSARI (IIT, Italy)
Water-triggered, irreversible conformational change of SARS-CoV-2 main protease on passing from the solid state to aqueous solution
PAVEL JANOS (SISSA, Italy)
NKCC1 ion cotransporter: four ions, one channel
PETER BOLHUIS (Amsterdam University, The Netherlands)
Transition path sampling and analysis of complex activated (bio)molecular processes
PILAR COSSIO (Max Planck Institute, Colombia)
Ligand binding and peptide design using molecular simulations
RAFFAELLO POTESTIO (Trento University, Italy)
Communication pathways in an IgG4 antibody: a multiscale study
THORBEN FRÖHLKING (SISSA, Italy)
Using machine learning to improve RNA force fields
URIEL MORZAN (ICTP, Italy)
Ultrafast electron-ion dynamics around conical intersections: the key role of the strong hydrogen bond

Organizers

Giovanni Bussi (SISSA), Alessandro Laio (SISSA), Alessandra Magistrato (SISSA), Christian Micheletti (SISSA), Alex Rodriguez (ICTP), Angelo Rosa (SISSA), Local Organiser: Ali Hassanali

Co-sponsors