Sentence examples for based on their docking from inspiring English sources

A series of coumarin based TACE inhibitors were designed to bind in S1′ pocket of TACE enzyme based on their docking study.

The work was thereby undertaken to study the anti-malarial properties of two different series of curcumin analogues based on their docking interactions with PfATP6 and correlating the results with their anti-malarial activity.

Based on active site structural differences between LSS and human spermidine synthase (HSS), we screened a large dataset of compounds against modeled protein using Glide virtual screen docking and selected two best inhibitors based on their docking scores (− 10.04 and − 13.11 respectively) with LSS and having least/no binding with the human enzyme.

Here we applied the principle component analysis (PCA) to explore whether AD drugs could be separated from schizophrenia drugs based on their docking score vectors.

Six ligand molecules were selected based on their docking score.

A total of 177 binding modes of Aβ(1 40) were superimposed on the S100A9 dimer, which were selected based on their docking scores lower than −20.

Each ToxCast compound was docked into the five published crystallographic structures of human PXR (hPXR), and 15 compounds were selected based on their consensus docking scores for testing.

NumbersUSA, which gives grades to candidates based on their immigration views, even docked Trump's grade over the summer, not because of his offensive remarks about immigrants but because he had put forward a muddled plan for a "merit-based system" for some undocumented immigrants.

Fifteen compounds were selected for synthesis based on their binding energy values and docking poses.

All these eight molecules were further extracted as outliers from the BBB-ChT compound database to determine the active and inactive compound clustering for AutoDock and ADVina docking runs based on their ΔGbind values.

Docking poses were analyzed based on their orientation, the interactions formed with the topoisomerase DNA complex as well as the docking scores.