Sentence examples for docking studies on the from inspiring English sources
To evaluate PharmDock's performance in predicting ligand binding poses in close agreement with the X-ray poses, we performed cognate docking studies on the PDBbind [11, 15] core set.
In silico molecular docking studies on the active sites of AChE and BChE were performed to gain a molecular insight into the mode of action of these compounds and to explain the pronounced selectivity for BChE.
Docking studies on the crystallized structure of HRV2 protease 3C led us to the design and the synthesis of a series of 3,5 disubstituted benzamides able to act as analogues of the substrate.
Molecular modelling and docking studies on TG3 proposed that binding of two additional Ca2+ ions converts the enzyme to the active form on the approach of the first substrate (glutamine-containing polypeptide) (Ahvazi et al. 2004).
41 Docking studies on this class of biphenyl-based AIs into a homology model of human aromatase (PDB code: 1TQA) revealed that the cyano group might interact favourably with Ser478 of the active site through hydrogen bond interactions.
A docking study on the μ-opioid receptor binding pocket has been carried out for ligands 3 11.
The molecular docking study on the interaction between the ligands and A site of 16S RNA is in agreement with the experimental data.
The docking study on the bis-HupB derivatives 12 series with TcAChE has demonstrated that the ligands bound to the dual-site of the enzyme in different level.
For the docking study on the binding of dabrafenib to RIP3, we performed the homology modeling of human RIP3 based on the B-Raf crystal structure 3SKC.
Our Quantum Mechanical, Molecular Dynamics and Docking studies on all the possible protonation states have suggested that the dyad residues are in di-deprotonated states in the presence of protonated inhibitor.
To the best of our knowledge, this is the first report on docking studies of the compound (4Z, 12Z -cyclopentadeca-4, 12Z -cyclopentadeca-4rom Grewia hirsuta for antidiabetic activity.
