Sentence examples for molecular dynamics occurring from inspiring English sources

Due to its nanoscale spatial resolution, TERS has the potential to monitor chemical reactions and molecular dynamics occurring at a single catalytic site.

Recently, a study of dipeptide-triggered ligand exchange of HLA-DR1 suggested that short peptides can prevent closure of the N-terminal side of the peptide-binding site predicted by molecular dynamics to occur in the absence of peptide [34].

Similar dynamics occur all over the world.

Furthermore, similar dynamics occur with malaria.

Switching between these dynamics occurs through a Hopf bifurcation.

Here we present the selection of potential ligand binding pockets that occur during molecular dynamics (MD) simulations of a homology-based receptor model.

Here we investigate the symplecticness of numerical integrators for constrained dynamics, such as occur in molecular dynamics when bond lengths are made rigid in order to overcome stepsize limitations due to the highest frequencies.

The fate of the acridone molecule (compound 10) in the P-glycoprotein environment is analyzed through analyzing the conformational changes occurring during the molecular dynamics simulations.

As shown in Figure 2, the RMS deviation employed a ribbon distribution, indicating that the large-scale conformational transitions occurred in our molecular dynamics simulations.

We noted that, during the molecular dynamics, a conformational change of the protein occurs mainly in active site region.

Due to lack of thermodynamic consistency in the parameter values of the published Schoeberl model, the molecular dynamics produced by this model cannot possibly occur in nature.