Revealing the Key Structural Features Promoting the Helical Conformation in Algal Polysaccharide Carrageenan in Solution

Author:

Chavda Dhruvil,Dutta Debangkana,Patel Keyur N.,Rathod Arun K.,Kulig Waldemar,Manna Moutusi

Publisher

Elsevier BV

Reference47 articles.

1. ) for funding. The authors acknowledge the financial support from HCP0024 (WP-03);This manuscript has been assigned CSIR-CSMCRI Communication number,2023

2. Gaussian-Accelerated molecular dynamics with the weighted ensemble method: A hybrid method improves thermodynamic and kinetic sampling;S.-H Ahn;Journal of chemical theory and computation,2021

3. i-Carrageenan: Molecular structure and packing of polysaccharide double helices in oriented fibres of divalent cation salts;S Arnott;Journal of Molecular Biology,1974

4. Comparison of carbohydrate force fields using Gaussian Accelerated Molecular Dynamics simulations and development of force field parameters for heparin-analogue pentasaccharides;G Balogh;Journal of Chemical Information and Modeling,2019

5. Molecular dynamics with coupling to an external bath;H J Berendsen;The Journal of chemical physics,1984

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