Coarse-Grained Molecular Modeling of the Solution Structure Ensemble of Dengue Virus Nonstructural Protein 5 with Small-Angle X-ray Scattering Intensity

• Main Authors: Zhu, Guanhua, Saw, Wuan Geok, Nalaparaju, Anjaiah, Grüber, Gerhard, Lu, Lanyuan
• Other Authors: School of Biological Sciences
• Format: Article
• Language: English
• Published: 2017
• Subjects: Dengue Virus; Small-Angle X-ray Scattering Intensity
• Online Access: https://hdl.handle.net/10356/85140; http://hdl.handle.net/10220/43628
• Institution: Nanyang Technological University

An ensemble-modeling scheme incorporating coarse-grained simulations with experimental small-angle X-ray scattering (SAXS) data is applied to dengue virus 2 (DENV2) nonstructural protein 5 (NS5). NS5 serves a key role in viral replication through its two domains that are connected by a 10-residue po...