Molecular Dynamics Simulation of an ι-Carrageenan Hexamer as Single and Double Helices

• المؤلفون الرئيسيون: dela Cerna, Mark Vincent C, Garcia, Renz Marion G, Guidote, Armando M, Jr, Claudio, Gil C
• التنسيق: text
• منشور في: Archīum Ateneo 2022
• الموضوعات: carageenan; Chemistry
• الوصول للمادة أونلاين: https://archium.ateneo.edu/chemistry-faculty-pubs/184; https://bioone.org/journals/journal-of-the-kentucky-academy-of-science/volume-82/issue-1/1098-7096-82.1.32/Molecular-Dynamics-Simulation-of-an-%ce%b9-Carrageenan-Hexamer-as-Single/10.3101/1098-7096-82.1.32.short
• المؤسسة: Ateneo De Manila University

Carrageenan gelation is characterized by a coil-to-helix transition. The conformation the polymer adopts in solution, however, is not yet fully understood at the molecular level. Here, molecular dynamics (MD) simulations were carried out on two possible conformations of ι-carrageenan hexamers – a si...