Prediction of the permeability of neutral drugs inferred from their solvation properties

por Milanetti, Edoardo, Raimondo, Domenico, Tramontano, Anna
Publicado 2016

Computational structural-based GPCR optimization for user-defined ligand: Implications for the development of biosensors

por Di Rienzo, Lorenzo, Miotto, Mattia, Milanetti, Edoardo, Ruocco, Giancarlo
Publicado 2023

Quantitative Description of Surface Complementarity of Antibody-Antigen Interfaces

por Di Rienzo, Lorenzo, Milanetti, Edoardo, Ruocco, Giancarlo, Lepore, Rosalba
Publicado 2021

Quantitative Characterization of Binding Pockets and Binding Complementarity by Means of Zernike Descriptors

por Di Rienzo, Lorenzo, Milanetti, Edoardo, Alba, Josephine, D’Abramo, Marco
Publicado 2020

Does blood type affect the COVID-19 infection pattern?

por Miotto, Mattia, Di Rienzo, Lorenzo, Gosti, Giorgio, Milanetti, Edoardo, Ruocco, Giancarlo
Publicado 2021

Exploring the Association Between Sialic Acid and SARS-CoV-2 Spike Protein Through a Molecular Dynamics-Based Approach

por Bò, Leonardo, Miotto, Mattia, Di Rienzo, Lorenzo, Milanetti, Edoardo, Ruocco, Giancarlo
Publicado 2021

Prediction of Time Series Gene Expression and Structural Analysis of Gene Regulatory Networks Using Recurrent Neural Networks

por Monti, Michele, Fiorentino, Jonathan, Milanetti, Edoardo, Gosti, Giorgio, Tartaglia, Gian Gaetano
Publicado 2022

Spatial organization of hydrophobic and charged residues affects protein thermal stability and binding affinity

por Desantis, Fausta, Miotto, Mattia, Di Rienzo, Lorenzo, Milanetti, Edoardo, Ruocco, Giancarlo
Publicado 2022

Investigating the competition between ACE2 natural molecular interactors and SARS-CoV-2 candidate inhibitors

por Milanetti, Edoardo, Miotto, Mattia, Bo’, Leonardo, Di Rienzo, Lorenzo, Ruocco, Giancarlo
Publicado 2023

Superposition-free comparison and clustering of antibody binding sites: implications for the prediction of the nature of their antigen

por Di Rienzo, Lorenzo, Milanetti, Edoardo, Lepore, Rosalba, Olimpieri, Pier Paolo, Tramontano, Anna
Publicado 2017

Molecular Dynamics Simulations Reveal Canonical Conformations in Different pMHC/TCR Interactions

por Alba, Josephine, Di Rienzo, Lorenzo, Milanetti, Edoardo, Acuto, Oreste, D’Abramo, Marco
Publicado 2020

Binding site identification of G protein-coupled receptors through a 3D Zernike polynomials-based method: application to C. elegans olfactory receptors

por Di Rienzo, Lorenzo, De Flaviis, Luca, Ruocco, Giancarlo, Folli, Viola, Milanetti, Edoardo
Publicado 2022

2D Zernike polynomial expansion: Finding the protein-protein binding regions

por Milanetti, Edoardo, Miotto, Mattia, Di Rienzo, Lorenzo, Monti, Michele, Gosti, Giorgio, Ruocco, Giancarlo
Publicado 2020

Molecular Mechanisms Behind Anti SARS-CoV-2 Action of Lactoferrin

por Miotto, Mattia, Di Rienzo, Lorenzo, Bò, Leonardo, Boffi, Alberto, Ruocco, Giancarlo, Milanetti, Edoardo
Publicado 2021

Characterizing Hydropathy of Amino Acid Side Chain in a Protein Environment by Investigating the Structural Changes of Water Molecules Network

por Di Rienzo, Lorenzo, Miotto, Mattia, Bò, Leonardo, Ruocco, Giancarlo, Raimondo, Domenico, Milanetti, Edoardo
Publicado 2021

A novel computational strategy for defining the minimal protein molecular surface representation

por Grassmann, Greta, Miotto, Mattia, Di Rienzo, Lorenzo, Gosti, Giorgio, Ruocco, Giancarlo, Milanetti, Edoardo
Publicado 2022

Thermometer: a webserver to predict protein thermal stability

por Miotto, Mattia, Armaos, Alexandros, Di Rienzo, Lorenzo, Ruocco, Giancarlo, Milanetti, Edoardo, Tartaglia, Gian Gaetano
Publicado 2022

Computational Modeling of the Thermodynamics of the Mesophilic and Thermophilic Mutants of Trp-Cage Miniprotein

por Bò, Leonardo, Milanetti, Edoardo, Chen, Cheng Giuseppe, Ruocco, Giancarlo, Amadei, Andrea, D’Abramo, Marco
Publicado 2022

Electrostatic complementarity at the interface drives transient protein-protein interactions

por Grassmann, Greta, Di Rienzo, Lorenzo, Gosti, Giorgio, Leonetti, Marco, Ruocco, Giancarlo, Miotto, Mattia, Milanetti, Edoardo
Publicado 2023

Shape Complementarity Optimization of Antibody–Antigen Interfaces: The Application to SARS-CoV-2 Spike Protein

por De Lauro, Alfredo, Di Rienzo, Lorenzo, Miotto, Mattia, Olimpieri, Pier Paolo, Milanetti, Edoardo, Ruocco, Giancarlo
Publicado 2022