Antibodies are large protein assemblies capable of both specifically recognising antigens and engaging with other proteins and receptors to coordinate immune action. Traditionally, structural studies have been dedicated to antibody variable regions, but efforts to determine and model full-length antibody structures are emerging. Here we review the current knowledge on modelling the structures of antibody assemblies, focusing on their conformational flexibility and the challenge this poses to obtaining and evaluating structural models. Integrative modelling approaches, combining experiments (cryo-electron microscopy, mass spectrometry, etc.) and computational methods (molecular dynamics simulations, deep-learning based approaches, etc.), hold the promise to map the complex conformational landscape of full-length antibody structures.

Modelling the assembly and flexibility of antibody structures / Guo, Dongjun; DE SCISCIO, MARIA LAURA; Chi-Fung Ng, Joseph; Fraternali, Franca. - In: CURRENT OPINION IN STRUCTURAL BIOLOGY. - ISSN 0959-440X. - 84:(2024). [10.1016/j.sbi.2023.102757]

Modelling the assembly and flexibility of antibody structures

Maria Laura De Sciscio;
2024

Abstract

Antibodies are large protein assemblies capable of both specifically recognising antigens and engaging with other proteins and receptors to coordinate immune action. Traditionally, structural studies have been dedicated to antibody variable regions, but efforts to determine and model full-length antibody structures are emerging. Here we review the current knowledge on modelling the structures of antibody assemblies, focusing on their conformational flexibility and the challenge this poses to obtaining and evaluating structural models. Integrative modelling approaches, combining experiments (cryo-electron microscopy, mass spectrometry, etc.) and computational methods (molecular dynamics simulations, deep-learning based approaches, etc.), hold the promise to map the complex conformational landscape of full-length antibody structures.
2024
Antibody flexibility; Antibody isotypes; Antibody structures; Conformational sampling
01 Pubblicazione su rivista::01g Articolo di rassegna (Review)
Modelling the assembly and flexibility of antibody structures / Guo, Dongjun; DE SCISCIO, MARIA LAURA; Chi-Fung Ng, Joseph; Fraternali, Franca. - In: CURRENT OPINION IN STRUCTURAL BIOLOGY. - ISSN 0959-440X. - 84:(2024). [10.1016/j.sbi.2023.102757]
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Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/11573/1707635
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