Refined bonded terms in coarse-grained models for intrinsically disordered proteins improve backbone conformations

• Main Authors: Hu, Zixin, Sun, Tiedong, Chen, Wenwen, Nordenskiöld, Lars, Lu, Lanyuan
• Other Authors: School of Biological Sciences
• Format: Article
• Language: English
• Published: 2024
• Subjects: Medicine, Health and Life Sciences; Coarse-grained modeling; Intrinsically disordered proteins
• Online Access: https://hdl.handle.net/10356/180959
• Institution: Nanyang Technological University

Coarse-grained models designed for intrinsically disordered proteins and regions (IDP/Rs) usually omit some bonded potentials (e.g., angular and dihedral potentials) as a conventional strategy to enhance backbone flexibility. However, a notable drawback of this approach is the generation of inaccura...