A new derivation of the GLYCAM06 force field, which removes its previous specificity for
carbohydrates, and its dependency on the AMBER force field and parameters, is presented …

A piqued interest in nanocellulose has recently arisen due to the growing need to use
sustainable and renewable materials in place of those that are derived from petrochemical …

Microbially secreted exopolymeric substances (EPS), rich in polysaccharides and proteins,
make up an important part of natural organic matter in the ocean, especially marine snow …

Explicit-solvent molecular dynamics (MD) simulations of the 11 glucose-based
disaccharides in water at 300K and 1bar are reported. The simulations were carried out with …

We investigated structural reorganization of two different kinds of molecular sheets derived
from the cellulose II crystal using molecular dynamics (MD) simulations, in order to identify …

Extracellular polymeric substances (EPS) are extracellular metabolites of microorganisms,
highly associated with microbial function, adaptation, and growth. The main compounds in …

This paper deals with the development and validation of new potential parameter sets,
based on the CHARMM36 and GLYCAM06 force fields, to simulate micelles of the two …

It is often assumed that intramolecular hydrogen-bonding (H-bonding) exerts a significant
influence on the conformational properties of aqueous (bio-) polymers. To discuss this …

The structure of the disaccharide cellulose subunit cellobiose (4-O-β-D-glucopyranosyl-D-
glucose) in solution has been determined via neutron diffraction with isotopic substitution …

Abstract Density, ρ, viscosity, η, and refractive index, n D of glucose, sucrose, and raffinose
have been measured in 0.015 m aqueous glycine at 298.15, 303.15, 308.15, and 313.15 K …