Sentence examples for a docking model of from inspiring English sources

c A docking model of P450cam and PdX.

Additionally, based on a docking model of l-glutamate at the catalytic site, a one-step sequential mechanism was proposed for enzymatic catalysis.

First, we used a docking model of the irreversible inhibitor, Nafamostat, bound to the active site of HGFA in order to explore structure activity relationships (SAR).

A docking model of one of the peptides bound to the antibody 93F3 diketone complex was created using a sequential divide-and-conquer peptide docking strategy; the model suggests that the peptide interacts with both the antibody and the ligand through a delicate hydrogen bonding network.

Based on a docking model of 52h bound to CDK8, we could explain the highly specific kinase activity profile found for this compound, based on the interaction of the pyridyl group of 52h interacting with Met174 of the CDK8 DMG activation loop.

In addition, a docking model of the tertiary structure of BACE1 with bisected N-glycans showed that all glycans lie apart from the catalytic center (Supplementary Fig S4C).

We used the LeapFrog program to develop a docking model for interaction of ligands with the active site of THNR.

A virtual database consisting of quinoxaline derivatives was first screened on a pharmacophore model of BACE 1 inhibitors, and then filtered by a molecular docking model of AChE.

Additionally, Schotland et al. performed a homology docking model of carbamazepine (and several other drugs) at the HLA-B*15:02 variant [29].

In addition, a molecular docking model of CsStefin-1 and CsCF-8 was developed using homology modeling based on their structures.

Additionally, a docking model predicted the binding conformation of WHI-P154 within the transmembrane region of homology-modeled human ABCG2 transporter.