Extreme environmental conditions pose fundamental obstacles to the stable operation of
equipment in cutting-edge fields such as deep space exploration and military equipment …

Conspectus Monosaccharides adopt multiple conformations in solution, and this structural
complexity increases significantly when they are assembled into oligosaccharides and …

We present an all‐atom additive empirical force field for the hexopyranose monosaccharide
form of glucose and its diastereomers allose, altrose, galactose, gulose, idose, mannose …

A new parameter set (referred to as 45A4) is developed for the explicit-solvent simulation of
hexopyranosebased carbohydrates. This set is compatible with the most recent version of …

This article presents a reoptimization of the GROMOS 53A6 force field for hexopyranose‐
based carbohydrates (nearly equivalent to 45A4 for pure carbohydrate systems) into a new …

The characterization of the 3D structure of oligosaccharides, their conjugates and analogs is
particularly challenging for traditional experimental methods. Molecular simulation methods …

An improved parameter set for explicit-solvent simulations of carbohydrates (referred to as
GROMOS 53A6GLYC) is presented, allowing proper description of the most stable …

D-arabinofuranose (2), as well as many plants, which produce polysaccharides rich in L-
arabinofuranose (3) 11− 14 and D-fructofuranose (4). 6 Other examples include the …

Molecular dynamics simulations of cellulose have recently become more prevalent due to
increased interest in renewable energy applications, and many atomistic and coarse …

We use molecular simulation to elucidate the structural behavior of small hydrated cellulose
Iβ microfibrils heated to 227° C (500 K) with two carbohydrate force fields. In contrast to the …