Multiscale modelling of biopolymers

• Published in: Advances in physics: X Vol. 9; no. 1
• Main Authors: Scacchi, A., Vuorte, M., Sammalkorpi, M.
• Format: Journal Article
• Language: English
• Published: Abingdon Taylor & Francis 31.12.2024; Taylor & Francis Ltd; Taylor & Francis Group
• Subjects: Amino acids; Bioengineering; Biopolymer modelling; Biopolymers; Carbohydrates; Chemical bonds; Chemistry; Composite materials; Density functional theory; Field theory; Free energy; Lignocellulose; Materials science; Medical equipment; Modelling; Molecular dynamics; Monte Carlo simulation; Nucleic acids; Peptides; Physics; physics-based models; Polyesters; Polymer blends; polymer materials modelling; Proteins; Self consistent fields

This review overviews common biopolymer modelling approaches ranging from chemically specific to highly coarse-grained techniques, along with their application ranges, strengths and limitations. Recent modelling applications at each modelling scale are outlined and discussed. The focus is on modelli...