Sentence examples for better docking of from inspiring English sources

Indeed it has already been demonstrated that a more accurate model of the binding pocket and better docking of the ligand was achieved for hB2AR when ECL2 was built ab initio rather than using bRHO as a template [41].

CBMs are thought to 1) enhance the adsorption of CDs to their substrate [ 15]; 2) enable the alignment of cellulose fibrils for better docking of the CD [ 16, 17]; and 3) modify substrate surfaces to facilitate enzymatic hydrolysis [ 18- 20].

We have shown that focused libraries generated by filtering compounds using the kinase-likeness score have, on average, better docking scores than an equivalent number of randomly selected compounds.

Moreover, in a recent study analyzing the effect of various charge models in docking results it was concluded that the quantum mechanical charge calculation method yielded significantly better docking results [15, 18], both in terms of binding geometry and energy.

Results showed that some of the ligands designed using the computational methods had better docking energies than peptides designed using a purely chemical knowledge-based approach [ 61].

Of note, many of the top hit compounds from the focused set yielded a much better docking score than the top hits from the random set.

RMSD value is an indication of how significant the computer-derived docking is, and smaller values indicate better docking.

The sound quality was quite good, on par with the better docks I've heard, including many that cost more than the $200 of the iP4.

In conclusion, the use of the PM6 method for calculating partial charges has resulted in a significantly better prediction of docking geometry and in the cluster population of the right docking pose.

Molecular docking of the selected substrate was performed in order to better understand the binding mode of the substrates in the active site of cathepsin C.

In silico protein docking of Grx5 with each of the ISC proteins indicates that Nfs1 is the protein that has a better surface complementary with Grx5.