内在无序蛋白质
工作流程
计算机科学
纳米技术
可扩展性
计算生物学
计算模型
蛋白质设计
分子识别
构象集合
蛋白质稳定性
设计要素和原则
蛋白质-蛋白质相互作用
化学
分子动力学
生物
蛋白质结构
数据科学
相(物质)
作者
Giulio Tesei,Francesco Pesce,Kresten Lindorff-Larsen
标识
DOI:10.1016/j.sbi.2025.103210
摘要
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 design. This review summarizes recent advances in designing intrinsically disordered regions with tailored conformational ensembles, molecular recognition, and phase behavior. We discuss challenges in combining models of predictive accuracy with scalable design workflows and outline emerging strategies that integrate knowledge-based, physics-based, and machine-learning approaches.
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