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Modelling the assembly and flexibility of antibody structures

Guo, D; De Sciscio, ML; Chi-Fung Ng, J; Fraternali, F; (2024) Modelling the assembly and flexibility of antibody structures. Current Opinion in Structural Biology , 84 , Article 102757. 10.1016/j.sbi.2023.102757.

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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.

Type: Article
Title: Modelling the assembly and flexibility of antibody structures
Location: England
DOI: 10.1016/j.sbi.2023.102757
Publisher version: http://dx.doi.org/10.1016/j.sbi.2023.102757
Language: English
Additional information: This version is the author accepted manuscript. For information on re-use, please refer to the publisher’s terms and conditions.
Keywords: Antibody flexibility, Antibody isotypes, Antibody structures, Conformational sampling
UCL classification: UCL
UCL > Provost and Vice Provost Offices > School of Life and Medical Sciences
UCL > Provost and Vice Provost Offices > School of Life and Medical Sciences > Faculty of Life Sciences
UCL > Provost and Vice Provost Offices > School of Life and Medical Sciences > Faculty of Life Sciences > Div of Biosciences
UCL > Provost and Vice Provost Offices > School of Life and Medical Sciences > Faculty of Life Sciences > Div of Biosciences > Structural and Molecular Biology
URI: https://discovery.ucl.ac.uk/id/eprint/10186226
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