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

• Main Authors: dela Cerna, Mark Vincent C, Garcia, Renz Marion G, Guidote, Armando M, Jr, Claudio, Gil C
• Format: text
• Published: Archīum Ateneo 2022
• Subjects: carageenan; Chemistry
• Online Access: 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
• Institution: 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...