Sentence examples for molecular dynamics identifies from inspiring English sources

Molecular dynamics identifies flexible residues in lysosomal alpha-galactosidase.

Structural analysis combined with molecular dynamics identified a basis for ligand access to the LPA1 binding pocket from the extracellular space contrasting with the proposed access for the sphingosine 1-phosphate receptor.

Molecular dynamics simulations identify key contacts between substrates and the enzyme catalytic pocket that might be modified through site-directed mutagenesis to prevent loss of enzymatic efficiency.

Molecular dynamics simulations identify an additional conformation in which EC2 separates substantially from the transmembrane domain.

Furthermore molecular dynamics simulations identified E222 residue (along with the chromophore Y66 residue) being in the protonated state when E2GFP·halogen complex is formed.

For the WT, mutants, and polymorphic variants, docking against the ensemble of molecular dynamics conformations identified native-like binding poses of ATP close to the previously reported crystal structure of the ATP-bound state.

Nevertheless, molecular dynamics simulations identify transient water binding at sites that agree well with those observed by crystallography, indicating that the energy landscape of the binding site is maintained in solution.

Here, molecular dynamics simulations explicitly identify target RNA motifs sensitive to magnesium ions and SAM.

Moreover, molecular dynamics simulations have identified an allosteric mechanism by which binding of palinurin leads to GSK-3β inhibition.

This review summarises recent experimental insights on GPCR voltage regulation and the role of molecular dynamics simulations in identifying the structural basis of GPCR voltage-sensing.

Finally, we utilized molecular dynamics simulations to identify the mechanism by which one of these hotspots is coupled to the larger dynamic networks.