Sentence examples for been docked using available from inspiring English sources
Several novel potential inhibitors for 17β-hydroxysteroid dehydrogenases have been docked using available algorithms but applying a novel set of auxiliary simulation scripts.
The ligands were docked using the LigandFit module that is available from Discovery Studio version 2.5.
47 Compounds were docked using default settings.
500 compounds were further docked using the Flexible Glide XP docking.
UBE2D∼UB was docked to RBX1 using PDB: 4AP4.
The Dat21 230 AcCoA structure was docked with tryptamine using GOLD [ 29].
The TPIMS inhibitors were docked with the two proteins using the open source docking program ADVina.
A series of 112 commercially available 2,4-diaminothiazoles with various substituents were docked into the homology model of TbGSK3 using FlexX.
Three commercially available and widely used P2X7-specific antagonists were docked as part of this study; SB203580, KN62 and AZ11645373 (Table 1).
To explore the ligand-protein interactions for the complexes which did not have available X-ray structures, compounds 3 and 4 were docked in the active site of CA II using Vdock docking program [ 18, 19].
The docking was performed using Glide module [ 30– 32], through blind docking approach in which commercially available drugs and newly isolated compounds were docked against BRCA and COX proteins.
