Protein-protein and protein-peptide recognition are among the most important processes that make signal transmission and transduction possible in a cell; they also play a role in cellular processes involving diseases. Theoretical approaches in the study of these processes from a structural and thermodynamic viewpoint have focused on computational methods aimed at modelling, predicting, and characterizing the interface between the interacting proteins. Indeed, computational techniques represent potent tools for understanding PPI mechanisms at the atomic level: this information can then be exploited for designing molecules able to interfere with them.

Editorial: Computational drug discovery for targeting of protein-protein interfaces—Volume II

Morra G.
Co-primo
Writing – Original Draft Preparation
;
Meli M.
Co-primo
Writing – Original Draft Preparation
;
Moroni E.
Co-primo
Writing – Original Draft Preparation
;
2023

Abstract

Protein-protein and protein-peptide recognition are among the most important processes that make signal transmission and transduction possible in a cell; they also play a role in cellular processes involving diseases. Theoretical approaches in the study of these processes from a structural and thermodynamic viewpoint have focused on computational methods aimed at modelling, predicting, and characterizing the interface between the interacting proteins. Indeed, computational techniques represent potent tools for understanding PPI mechanisms at the atomic level: this information can then be exploited for designing molecules able to interfere with them.
2023
Istituto di Scienze e Tecnologie Chimiche "Giulio Natta" - SCITEC - Sede Secondaria Milano - Via M. Bianco
computational methods
computational-experimental integration
drug discovery
protein-protein interface (PPI)
theoretical approach
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Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/20.500.14243/511506
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