Sentence examples for molecular dynamics has from inspiring English sources

Molecular dynamics has emerged as an important research methodology covering systems to the level of millions of atoms.

A consistent relationship between the changes caused by the physical aging in nanostructure and molecular dynamics has been found.

How this allosteric modulation occurs — the pathways of communication, the shifting of conformational ensembles and the altered molecular dynamics — has received considerable attention during the past two years.

Recently, a novel concept for the computation ofessentialfeatures of the dynamics of Hamiltonian systems (such as molecular dynamics) has been proposed.

Molecular dynamics has subsequently been applied to study the yield strength, which increases significantly in the presence of He, more remarkably for the edge dislocation.

In this work, molecular dynamics has been employed to study the topographic characteristics and intrinsic mechanical properties of graphene when attached to a reconstructed silicon surface.

Dynamic mechanical studies of molecular dynamics have been performed for two ethylene norbornene copolymers.

Molecular mechanics and molecular dynamics have been used to build amorphous cells of 13 different aromatic polysulfones.

Further studies of NMR and molecular dynamics have showed the capacity of these hybrid molecules to change their bioactive conformation depending on the binding site, being capable to inhibit with different shapes BuChE and residually AChE.

Additionally, our atomistic simulations with targeted molecular dynamics have corroborated the findings of CG simulations and further revealed key protein-DNA hydrogen bonds that break/form during the transitions.

The grand canonical ensemble techniques both Monte Carlo and molecular dynamics—have become very popular in recent years, but no direct link between the number fluctuation results from these simulation methods and a Kirkwood Buff theory has been established.