Sentence examples for to validate the docking from inspiring English sources

In order to validate the docking protocol, method validation was carried out by redocking the ligand extracted from 3K34; the docking was successfully able to reproduce the correct binding mode for the native ligand with an RMSD of <2.

SCH28080 was used to validate the docking results.

SCH28080 was used to validate the docking results because the PDB structure (2XZB) used in the docking analysis was obtained from enzyme crystallized along with it and its binding site was evaluated according to bound SCH28080 in the literature [16].

To validate the docking method, we first applied our technique to the rebuilding of a known TCR/p/MHCII crystallographic structure.

Docking of N-TIMP-3 with the ADAM17 component from the N-TIMP-3 ADAM17 complex (PDB code 3CKI) was first performed to validate the dockiN-TIMP-3 ADAM17

Then, the molecular docking and molecular dynamics (MD) simulations were employed to validate the optimal docking conformation and explore the binding affinities.

Moreover, underwater docking experiments are conducted to validate the feasibility of the docking system and the effectiveness of the proposed guidance algorithm.

The information about known S. mansoni HDAC8 inhibitors and compounds that affect the growth of Trypanosoma, Leishmania and Plasmodium species was used to validate the models by docking and molecular dynamics studies.

(A) To validate the in silico docking simulation, we performed this analysis of MAO-A using serotonin, a known substrate.

The dataset of 102 compounds was subjected to docking in order to validate the QSAR results via GOLD docking suit [12].

To validate the 3D-QSAR results, docking simulation was performed and the most active compound 32 and least active compound 46 was evaluated for their binding interactions in the active site of protease and results were compared.