Sentence examples for binding mode and subsequently from inspiring English sources

The initial series of inhibitors had minor modifications on the indirubin core that were designed with the objective of generating a noncanonical binding mode and subsequently an improved selectivity profile toward DYRKs.

Docking and rational design are now well-established tools for the understanding of binding modes, the generation of respective binding mode hypotheses, and, subsequently, rational design.

To obtain an accurate binding mode and affinity data, docking was conducted in the Geom mode of Surfelx-Dock.

The crystallographic and docking studies also suggest that the aryl compounds prefer the forward binding mode and the flurorenyl analogs orient in a reverse binding mode.

The specific binding mode and this alternative nonspecifically bound mode are in thermodynamic competition.

We observed that the binding mode and binding site residues are distinct in these organisms.

As shown in Table 3, the predictor can deliver precision of 100% and sensitivity of 80.22% for zipper-type binding mode, precision of 70.45% and sensitivity of 73.46% for helix-turn-helix binding mode, precision of 68.07% and sensitivity of 88.98% for zinc-coordinating binding mode, and precision of 34.21% and sensitivity of 52.00% for β-hairpin/ribbon binding mode.

The synthesis, binding mode and cellular activity of these compounds are described in the present study.

Structural biology is usually employed to establish their binding mode and guide their optimization.

Subsequently, multiple docking and scoring protocols employing the software Autodock Vina and rDock were applied to predict binding modes and rank order ligands.

DNA binding modes and binding affinity can be modulated by ligand design.