Sentence examples for docking energy from inspiring English sources
AutoDock Vina outputs a result in terms of docking energy scores.
Flexible Glide SP docking was carried out and the ranking was done based on the docking energy.
We next forced the backbone from the unbound toward the bound conformation to create a family of docking energy landscapes.
A library of novel fluoro-analogs of CA-4/CA-1 was generated and their docking energy scores obtained.
"Affinity -based studies hAffinity -basedhe order of restudiesbased on docking energy levels (Van der Waals and electrostatic interactions).
Two structures, Mode I and Mode II, with the lowest docking energy were selected as different representative binding modes.
Docking energies and H-Bond distances with the Arg38 are presented in Table 3.
The simulations performed aimed at quantifying the role of intermolecular interactions, as well as docking energies and binding modes [119].
The query ligand is firstly docked to the contracted database, and half of the targets with lower docking energies will be used for the next expansion stage.
The docking energies of the DNA-compound adducts varied from − 23.84 to − 30.96 kJ/mol, and the adducts were stabilized by H-bonding and hydrophobic attractions.
A linear correlation was indicated between the in silico docking energies and the in vitro AQP4 inhibitory activity at 20 μM.
