Sentence examples for manner our docking from inspiring English sources
In addition, they interact with the colchicine-binding pocket in a unique manner: our docking studies suggest that the R-isomers interact with tubulin via their furan ring, while the S-isomers localize to the colchicine pocket via their ester side chain.
16 In our docking mode, oseltamivir is the strongest ligand of those studied (Table 1), with the lowest docking energy of −13.94 kcal/mol.
To evaluate the effectiveness of docking protocol in flexible docking, we have selected crystallographic bound compound to validate our docking procedure as evident from root mean square deviation.
Hence, our docking results were refined by MD simulation, improving the accuracy of the model.
As shown in Additional file 1: Table S5, our docking system generally reproduced the docking results when we utilized all PDB structures (Additional file 1: Table S4).
The docking studies were performed using our docking package SOL software implemented in the program complex KeenBASE [9].
These results strongly support our docking model between haem and ANT1.
This was required for our docking procedure.
We also compare our docking results with ClusPro [ 19].
Our docking effort on CYP397A1V2 supports this hypothesis.
