Molecular Dynamics Simulations Reveal Canonical Conformations in Different pMHC/TCR Interactions von Alba, Josephine, Rienzo, Lorenzo Di, Milanetti, Edoardo, Acuto, Oreste, D'Abramo, Marco

Volltext

Inferring the stabilization effects of SARS-CoV-2 variants on the binding with ACE2 receptor von Miotto, Mattia, Di Rienzo, Lorenzo, Gosti, Giorgio, Bo’, Leonardo, Parisi, Giacomo, Piacentini, Roberta, Boffi, Alberto, Ruocco, Giancarlo, Milanetti, Edoardo

Volltext

Computational evidences of a misfolding event in an aggregation‐prone light chain preceding the formation of the non‐native pathogenic dimer von Desantis, Fausta, Miotto, Mattia, Milanetti, Edoardo, Ruocco, Giancarlo, Di Rienzo, Lorenzo

Volltext

Dynamical changes of SARS‐CoV‐2 spike variants in the highly immunogenic regions impact the viral antibodies escaping von Di Rienzo, Lorenzo, Miotto, Mattia, Desantis, Fausta, Grassmann, Greta, Ruocco, Giancarlo, Milanetti, Edoardo

Volltext

Spatial organization of hydrophobic and charged residues affects protein thermal stability and binding affinity von Desantis, Fausta, Miotto, Mattia, Di Rienzo, Lorenzo, Milanetti, Edoardo, Ruocco, Giancarlo

Volltext

Synchronized motion of interface residues for evaluating protein–RNA complex binding affinity: Application to aptamer‐mediated inhibition of TDP‐43 aggregates von Panei, Francesco Paolo, Di Rienzo, Lorenzo, Zacco, Elsa, Armaos, Alexandros, Tartaglia, Gian Gaetano, Ruocco, Giancarlo, Milanetti, Edoardo

Volltext

Does blood type affect the COVID-19 infection pattern? von Miotto, Mattia, Di Rienzo, Lorenzo, Gosti, Giorgio, Milanetti, Edoardo, Ruocco, Giancarlo

Volltext

Lactoferrin Inhibition of the Complex Formation between ACE2 Receptor and SARS CoV-2 Recognition Binding Domain von Piacentini, Roberta, Centi, Laura, Miotto, Mattia, Milanetti, Edoardo, Di Rienzo, Lorenzo, Pitea, Martina, Piazza, Paolo, Ruocco, Giancarlo, Boffi, Alberto, Parisi, Giacomo

Volltext

A novel computational strategy for defining the minimal protein molecular surface representation von Grassmann, Greta, Miotto, Mattia, Di Rienzo, Lorenzo, Gosti, Giorgio, Ruocco, Giancarlo, Milanetti, Edoardo

Volltext

Electrostatic complementarity at the interface drives transient protein-protein interactions von Grassmann, Greta, Di Rienzo, Lorenzo, Gosti, Giorgio, Leonetti, Marco, Ruocco, Giancarlo, Miotto, Mattia, Milanetti, Edoardo

Volltext

Binding site identification of G protein-coupled receptors through a 3D Zernike polynomials-based method: application to C. elegans olfactory receptors von Di Rienzo, Lorenzo, De Flaviis, Luca, Ruocco, Giancarlo, Folli, Viola, Milanetti, Edoardo

Volltext

In-Silico Evidence for a Two Receptor Based Strategy of SARS-CoV-2 von Milanetti, Edoardo, Miotto, Mattia, Di Rienzo, Lorenzo, Nagaraj, Madhu, Monti, Michele, Golbek, Thaddeus W, Gosti, Giorgio, Roeters, Steven J, Weidner, Tobias, Otzen, Daniel E, Ruocco, Giancarlo

Volltext

Exploiting Reaction‐Diffusion Conditions to Trigger Pathway Complexity in the Growth of a MOF von Calvo Galve, Néstor, Abrishamkar, Afshin, Sorrenti, Alessandro, Di Rienzo, Lorenzo, Satta, Mauro, D'Abramo, Marco, Coronado, Eugenio, Mello, Andrew J., Mínguez Espallargas, Guillermo, Puigmartí‐Luis, Josep

Volltext

Molecular Mechanisms Behind Anti SARS-CoV-2 Action of Lactoferrin von Miotto, Mattia, Di Rienzo, Lorenzo, Bò, Leonardo, Boffi, Alberto, Ruocco, Giancarlo, Milanetti, Edoardo

Volltext

2D Zernike polynomial expansion: Finding the protein-protein binding regions von Milanetti, Edoardo, Miotto, Mattia, Di Rienzo, Lorenzo, Monti, Michele, Gosti, Giorgio, Ruocco, Giancarlo

Volltext

Characterizing Hydropathy of Amino Acid Side Chain in a Protein Environment by Investigating the Structural Changes of Water Molecules Network von Di Rienzo, Lorenzo, Miotto, Mattia, Bò, Leonardo, Ruocco, Giancarlo, Raimondo, Domenico, Milanetti, Edoardo

Volltext

Computational structural-based GPCR optimization for user-defined ligand: Implications for the development of biosensors von Di Rienzo, Lorenzo, Miotto, Mattia, Milanetti, Edoardo, Ruocco, Giancarlo

Volltext

Quantitative Description of Surface Complementarity of Antibody-Antigen Interfaces von Di Rienzo, Lorenzo, Milanetti, Edoardo, Ruocco, Giancarlo, Lepore, Rosalba

Volltext

Computational optimization of angiotensin-converting enzyme 2 for SARS-CoV-2 Spike molecular recognition von Di Rienzo, Lorenzo, Monti, Michele, Milanetti, Edoardo, Miotto, Mattia, Boffi, Alberto, Tartaglia, Gian Gaetano, Ruocco, Giancarlo

Volltext

Differences in the organization of interface residues tunes the stability of the SARS-CoV-2 spike-ACE2 complex von Miotto, Mattia, Di Rienzo, Lorenzo, Grassmann, Greta, Desantis, Fausta, Cidonio, Gianluca, Gosti, Giorgio, Leonetti, Marco, Ruocco, Giancarlo, Milanetti, Edoardo

Volltext