Computational design of intrinsically disordered proteins

Fuente: arXiv
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Autores principales: Tesei, Giulio, Pesce, Francesco, Lindorff-Larsen, Kresten
Formato: Preprint
Publicado: 2025
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author Tesei, Giulio
Pesce, Francesco
Lindorff-Larsen, Kresten
author_facet Tesei, Giulio
Pesce, Francesco
Lindorff-Larsen, Kresten
contents Protein design has the potential to revolutionize biotechnology and medicine. While most efforts have focused on proteins with well-defined structures, increased recognition of the functional significance of intrinsically disordered regions, together with improvements in their modeling, has paved the way to their computational de novo design. This review summarizes recent advances in engineering intrinsically disordered regions with tailored conformational ensembles, molecular recognition, and phase behavior. We discuss challenges in combining models with predictive accuracy with scalable design workflows and outline emerging strategies that integrate knowledge-based, physics-based, and machine-learning approaches.
format Preprint
id arxiv_https___arxiv_org_abs_2509_12460
institution arXiv
publishDate 2025
record_format arxiv
spellingShingle Computational design of intrinsically disordered proteins
Tesei, Giulio
Pesce, Francesco
Lindorff-Larsen, Kresten
Biomolecules
Protein design has the potential to revolutionize biotechnology and medicine. While most efforts have focused on proteins with well-defined structures, increased recognition of the functional significance of intrinsically disordered regions, together with improvements in their modeling, has paved the way to their computational de novo design. This review summarizes recent advances in engineering intrinsically disordered regions with tailored conformational ensembles, molecular recognition, and phase behavior. We discuss challenges in combining models with predictive accuracy with scalable design workflows and outline emerging strategies that integrate knowledge-based, physics-based, and machine-learning approaches.
title Computational design of intrinsically disordered proteins
topic Biomolecules
url https://arxiv.org/abs/2509.12460