Sentence examples for binding of halogenated ligands from inspiring English sources

The value of a QM description for the binding of halogenated ligands exhibiting σ-hole effects is highlighted.

The results from this study might be used for the rational design of halogenated ligands as inhibitors and drugs, and in biomolecular engineering.

The σ-hole factor describes the directionality of the interaction and the SphericalScore addresses the spatial position of the halogenated ligand around the sulfur atom.

First, halogenation, especially bromination, increases the potency of PPARγ binding, which was confirmed by the specific binding activities of halogenated phenols and bisphenols.

It has been demonstrated that the binding of different ligands to ERalpha results in the formation of unique ERalpha-ligand conformations.

Hence, integration of halogen bonding potentials in the docking scoring function would be highly beneficial in achieving accuracy of docking results with respect to halogenated ligands.

Implementation of XBSF into AutoDock Vina has been shown to improve the accuracy of the docking result with regards to halogenated ligands.

The docking results elucidated that hydrophobic and hydrogen-bonding interactions may also contribute to stabilize the binding of the halogenated BPAs to their receptor molecule.

The Bet v1 fold: an ancient, versatile scaffold for binding of large, hydrophobic ligands.

In negative cooperativity, the binding of one ligand makes it harder for a second ligand to bind.

RAR and RXR are intracellular receptors that after binding of ligand function as transcription factors.