Sentence examples for Computational molecular dynamics from inspiring English sources

Computational molecular dynamics enables atomic level resolution of the interaction between albumin and atRA during several binding events.

Within this work a new property determinable by computational molecular dynamics simulation is detailed.

In this work we have evaluated molecular interactions in organically modified clay and polymer clay nanocomposite using a combination of experimental (photoacoustic FTIR, XRD) and computational (molecular dynamics (MD)) techniques.

While recent reviews have highlighted distinctive properties particularly stability that are strongly influenced by both copolymer type and polymer molecular weight, here we first review some of the more recent developments in computational molecular dynamics (MD) schemes that lend insight into assembly.

Using a recently developed frequency domain spectroscopic instrument operating at room temperature with high spectral and spatial resolution, we demonstrated very intense and specific spectral lines from a DNA crystal in general agreement with a computational molecular dynamics (MD) simulation of a short double stranded DNA fragment.

This paper reviews the recent computational molecular dynamics studies about mixture of ILs and some materials including carbon nanotubes (CNT), gases and water.

Graña applied for an award to support a 4-month visit to Denmark to learn a computational molecular-dynamics technique for his research on disease-related protein aggregation, but his application failed.

We develop and utilize computational tools (molecular dynamics statistical methods, electronic structure, materials informatics approaches, etc). and interact closely with experimentalists.

We use a variety of cell-based and in vitro biochemical assays, x-ray crystallography, and computational techniques (molecular dynamics simulations and bioinformatics analyses) to discover how these important proteins function in cells.

To achieve this conclusion, numerous computational intensive molecular dynamics simulations of chiral (6,3) CNTs were performed using the LAMMPS code and the AIREBO potential for C C bonds.

In computational mechanics, molecular dynamics (MD) and finite element (FE) analysis are well developed and most popular on nanoscale and macroscale analysis, respectively.