Sentence examples for simulation and mutagenesis from inspiring English sources

Further molecular docking, MD simulation and mutagenesis studies confirmed the binding mode of DC07090 and EV71 3Cpro.

Further simulation and mutagenesis validation supported that seven methionine residues formed a circle and bound anions with different binding energy, leading to elegant modulation of further passing of cations.

The current work exemplifies the mutual benefit of protein crystallography, QM/MM simulation, and mutagenesis in discerning enzyme mechanisms.

The above crystal structures, simulations and mutagenesis studies strongly suggested that the hydrogen bonding network with the hydantoin moiety is critical for binding.

A crystal structure, molecular dynamics simulation and atomic mutagenesis studies suggest that nucleotides of an asymmetric bulge participate in the dynamic architecture of the ribozyme's active center.

Docking simulation of ATA and mutagenesis experiment revealed K224D/K224E mutations in CKIδ that impaired product binding and temperature-compensated primed phosphorylation.

By means of the existing SNAP-25-toxin co-crystal structure, molecular dynamics simulations, and corroborative mutagenesis studies, the appropriate binding pockets for these residues in BoNT/A were characterized.

The gating mechanism of PREP has been investigated through molecular dynamics (MD) simulation combined with crystallographic and mutagenesis studies.

Combining mutagenesis, molecular simulation and electrophysiological recording, a binding model for the probe activator, ztz240, in the gating charge pathway was defined.

In this study, we have identified an activator-binding pocket in the gating charge pathway of KCNQ2 by comprehensively employing homology modeling, molecular docking, molecular dynamics (MD) simulation, mutagenesis and electrophysiological determination.

Here we used this crystal structure as a template to assess the likely positioning of the ectoine and 2-oxoglutarate ligands within the active site by structural comparison, molecular dynamics simulations, and site-directed mutagenesis.