101 citations · 359 across the 16 of their papers we have counts for
8 papers · 1 filter
Insights into the role of dynamical features in protein complex formation: the case of SARS-CoV-2 spike binding with ACE2
Greta Grassmann, Mattia Miotto, Francesca Alessandrini +4
The functionality of protein-protein complexes is closely tied to the strength of their interactions, making the evaluation of binding affinity a central focus in structural biolog…
Compact assessment of molecular surface complementarities enhances neural network-aided prediction of key binding residues
Greta Grassmann, Lorenzo Di Rienzo, Giancarlo Ruocco +2
Predicting interactions between biomolecules, such as protein-protein complexes, remains a challenging problem. Despite the many advancements done so far, the performances of docki…
Osmolyte-Induced Protein Stability Changes Explained by Graph Theory
Mattia Miotto, Nina Warner, Giancarlo Ruocco +3
Enhanced stabilisation of protein structures via the presence of inert excipients is a key mechanism adopted both by physiological systems and in biotechnological applications. Whi…
Electrostatic complementarity at the interface drives transient protein-protein interactions
Greta Grassmann, Lorenzo Di Rienzo, Giorgio Gosti +4
Understanding the molecular mechanisms driving the binding between bio-molecules is a crucial challenge in molecular biology. In this respect, characteristics like the preferential…
Shape Complementarity Optimization of Antibody-Antigen Interfaces: the Application to SARS-CoV-2 Spike Protein
Alfredo De Lauro, Lorenzo Di Rienzo, Mattia Miotto +3
Many factors influence biomolecules binding, and its assessment constitutes an elusive challenge in computational structural biology. In this respect, the evaluation of shape compl…
Molecular mechanisms behind anti SARS-CoV-2 action of lactoferrin
Mattia Miotto, Lorenzo Di Rienzo, Leonardo Bò +3
Despite the huge effort to contain the infection, the novel SARS-CoV-2 coronavirus has rapidly become pandemics, mainly due to its extremely high human-to-human transmission capabi…
Structural analysis of SARS-CoV-2 and prediction of the human interactome
Andrea Vandelli, Michele Monti, Edoardo Milanetti +2
Specific elements of viral genomes regulate interactions within host cells. Here, we calculated the secondary structure content of >2500 coronaviruses and computed >100000 human pr…
Simulated Epidemics in 3D Protein Structures to Detect Functional Properties
Mattia Miotto, Lorenzo Di Rienzo, Pietro Corsi +3
The outcome of an epidemic is closely related to the network of interactions between the individuals. Likewise, protein functions depend on the 3D arrangement of their residues and…