Sentence examples for template for virtual from inspiring English sources

The uniqueness of lamprey Met-409 and its stabilizing interaction with the 15α-hydroxyl on 15α-OH-E2 suggests that it may be possible to find chemicals that selectively inhibit lamprey ER by using our 3D model of lamprey ER as a template for virtual screening of chemical libraries.

For CCK2, we took the 2D structures of 3 active ligands and used FieldTemplater to identify the bioactive conformations which were used as templates for virtual screening.

The models presented in this chapter not only provided important molecular insights to better understand the "interaction pharmacophores" but also guided generation of templates for virtual screening of compound databases to identify novel bioactive agents.

Finally, SED-ML descriptions may be defined as templates for virtual experiments.

Therefore, we used the latter crystal structure of Ll6PGDH in complex with NADP+ and PEX (compound A, Fig. 2) as a template structure for virtual screening.

Inhibitor 28 served as a template for similarity based virtual screening, which resulted in the identification of two derivatives 3s (ZINC code 62022572) and 4s (ZINC code 49032257) with an IC50 of 116 μM and 110 μM, respectively.

Homology models of D2-like and 5-HT2A receptors will be helpful for predicting the affinity of novel ligands, and could be used as three-dimensional (3D) templates for antipsychotic virtual screening and further drug discovery.

High-resolution NMR and X-ray crystallography of protein complexes can now be used as templates for the virtual screening of chemical databases, to identify the so-called "hot spot" binders.

It suggests another forebear whose life and career are a virtual template for the paranoid demagogy that has defined the 2016 election: Donald Trump is the second coming of Joseph McCarthy.

Kroc recognizes instantly that the schema of the original McDonald's can be replicated infinitely, that it's a virtual template for franchising — but the brothers aren't interested.

A set of reported CB2R agonists and their respective affinities for CB1R and CB2R were assessed when making the final selection for the template ligand for the virtual screen (see Supplementary Table S1).