Molecular communications in complex systems of dynamic supramolecular polymers

M Crippa, C Perego, AL de Marco… - Nature Communications, 2022 - nature.com
Supramolecular polymers are composed of monomers that self-assemble non-covalently,
generating distributions of monodimensional fibres in continuous communication with each …

Classifying soft self-assembled materials via unsupervised machine learning of defects

A Gardin, C Perego, G Doni, GM Pavan - Communications Chemistry, 2022 - nature.com
Unlike molecular crystals, soft self-assembled fibers, micelles, vesicles, etc., exhibit a certain
order in the arrangement of their constitutive monomers but also high structural dynamicity …

Into the dynamics of rotaxanes at atomistic resolution

L Leanza, C Perego, L Pesce, M Salvalaglio… - Chemical …, 2023 - pubs.rsc.org
Mechanically-interlocked molecules (MIMs) are at the basis of artificial molecular machines
and are attracting increasing interest for various applications, from catalysis to drug delivery …

Detecting dynamic domains and local fluctuations in complex molecular systems via timelapse neighbors shuffling

M Crippa, A Cardellini, C Caruso… - Proceedings of the …, 2023 - National Acad Sciences
It is known that the behavior of many complex systems is controlled by local dynamic
rearrangements or fluctuations occurring within them. Complex molecular systems …

Unsupervised data-driven reconstruction of molecular motifs in simple to complex dynamic micelles

A Cardellini, M Crippa, C Lionello… - The Journal of …, 2023 - ACS Publications
The reshuffling mobility of molecular building blocks in self-assembled micelles is a key
determinant of many their interesting properties, from emerging morphologies and surface …

Durotaxis of passive nanoparticles on elastic membranes

I Palaia, A Paraschiv, VE Debets, C Storm, A Šarić - ACS nano, 2021 - ACS Publications
The transport of macromolecules and nanoscopic particles to a target cellular site is a crucial
aspect in many physiological processes. This directional motion is generally controlled via …

[PDF][PDF] Machine learning of molecular motifs in soft supramolecular systems

A Gardin - 2023 - tesidottorato.depositolegale.it
Defects are ubiquitous in our world and they forcefully populate every aspect of our life.
Although, defects are often random and sporadic, making them challenging to detect and …

Intrinsic dynamics and emerging complexity in self-assembling systems

GM Pavan - Book of abstracts, 2023 - re.public.polimi.it
Nature uses self-assembly for building complex (supra) molecular systems with fascinating
properties. In these systems, the constitutive units self-organize via reversible interactions …