Sentence examples for molecular dynamics studies from inspiring English sources

Molecular dynamics studies require potential function or force field parameters.

Real time (in-situ) monitoring of bacterial cells by in-cell NMR studies together with molecular dynamics studies provide valuable insights into the antimicrobial property.

These changes observed experimentally are compared with prior predictions and simulations using molecular dynamics studies.

Molecular dynamics studies demonstrated that a supramolecular assembly can express autonomous structural oscillations about equilibrium.

The excellent proteasome inhibition by I-14 was rationalized through docking and molecular dynamics studies.

Note that the exact structural modifications at finite temperature can be seen from molecular dynamics studies, which indeed is close to the experimental observations, as recently shown by Salvador and co-workers91.

Classical molecular dynamics studies of carbon ion-irradiation on ropes made of (10, 10) carbon nanotubes have been made.

Previous molecular dynamics studies simulated the binding of ADP or ATP to the AAC remaining in the c-state.

We review here recent molecular dynamics studies at multiple resolutions highlighting the main features of cholesterol-GPCR interaction.

In this context, important details pertaining to the methodological approaches used in molecular dynamics studies of AFPs are also discussed.

Here, we present atomistic molecular dynamics studies of the closed-state, non-conducting C1C2 structure and protonation states.