Molecular dynamics simulation: effect of sulfation on the structure of curdlan triple helix in aqueous solution

• المؤلفون الرئيسيون: Gao, Yufu, Feng, Xuan, Zhang, Ran, Xiao, Jie, Huang, Qingrong, Li, Jiawei, Shi, Tongfei
• مؤلفون آخرون: School of Chemistry, Chemical Engineering and Biotechnology
• التنسيق: مقال
• اللغة: English
• منشور في: 2025
• الموضوعات: Medicine, Health and Life Sciences; Curdlan; Sulfation
• الوصول للمادة أونلاين: https://hdl.handle.net/10356/182707
• المؤسسة: Nanyang Technological University

In this work, by using molecular dynamics simulations, we elucidate the effect of sulfation substitution on the stability of the curdlan triple helix structure. The simulation results indicate that the stability of the triple helix structure is significantly influenced by the sites of sulfation subs...