Glycerol is a major cryoprotective agent and is widely used to promote protein stabilization.
By a combined experimental and theoretical study, we show that global thermodynamic …

The potential of mean force of interacting aromatic amino acids is calculated using
molecular dynamics simulations. The free energy surface is determined in order to study …

Virgin biopolymers are often brittle, which means that they need efficient, sustainable, non-
toxic plasticizers for most practical applications. Although the mechanical properties of …

In this study, molecular dynamics simulations were used to investigate the micro-scale
effects of modification of nano-SiO 2 with commonly used silane coupling agents (KH550 …

We draw on an old technique for improving the accuracy of mesh-based field calculations to
extend the popular Smooth Particle Mesh Ewald (SPME) algorithm as the Staggered Mesh …

An analysis of the conformational properties and hydrogen bonding in the condensed
phases of glycerol is reported using the same model as adopted in Part I (Phys. Chem …

Glycerol–water systems with different concentrations have been simulated using a
molecular dynamics simulation method. The study is the beginning of the project to research …

Many biopolymers are stiff and brittle and require plasticizers. To optimize the choice and
amount of plasticizer, the mechanisms behind plasticization need to be understood. For …

In the realm of nanoscience, the dynamic behaviors of liquids at scales beyond the
conventional structural relaxation time, τ, unfold a fascinating blend of solid-like …

For further analysis of the effect of nano-doping on the properties of high polymers and
research into the mechanism behind modified interfacial hydrogen bonds, a study on the …