Sentence examples for binding mode in the from inspiring English sources
Here, we report novel hit compounds and their binding mode in the active site of GSK-3β crystal structure.
The docking study confirmed a unique binding mode in the active site of CDK1B with better score than flavopiridol.
Furthermore, theoretical investigation further illustrated the possible binding mode in the host-guest interaction and the roles of molecular frontier orbitals in molecular interplay.
Docking analysis has been carry out in order to identify the binding mode in the active site, and to explain the observed selectivities.
Molecular docking studies show that both 7d and 6o display a unique binding mode in the IDO1 active site, with the side-chain protruding in an additional pocket C, where a crucial hydrogen bond is formed with Lys238.
These data indicating a dissimilar binding mode in the monomeric and oligomeric states, with a monomeric, 1 1 complex to be more likely to exist at the thrombin physiological, nanomolar concentration range.
Three-dimensional molecular docking studies were conducted for each active compound identified in our screening assays, so that we could evaluate and better understand their respective binding modes in the VDR active site.
Some compounds presented significant PPARγ/δ activity and molecular modeling suggested their putative binding modes in the ligand binding domain of PPARγ.
Their antiviral activity was evaluated and molecular modeling was utilized to give further envision on their probable binding modes in the allosteric binding site.
The structures reveal that AMPA agonists with an isoxazole moiety adopt different binding modes in the receptor, dependent on the substituents of the isoxazole.
