Sentence examples for docking data from inspiring English sources

Docking data from the di- and tri-peptide sets were fitted and examined separately.

Docking data suggested that the most potent molecules are likely to target the colchicine binding site.

Our docking data show that the induced-fit docking (IFD) protocol can successfully reproduce the native poses of ligands from different sources.

The docking data presented in this work offer an interesting approach to the design of new molecules with potential antimalarial activity.

In the docking data it was discussed previously that in compound 13 there were four hydrogen bond formations while numbers decreased for compound 18 and least for compound 7.

The di-peptides, on the other hand, appear to be a generic set of protein surface binders and are unlikely to produce experimental binding affinity for the ETS dimer interface site that would correlate with the docking data.

It executes/manages molecular docking data-intensive experiments for discovering novel drug targets using AutoDock and Auto Dock Vina, as they are the most popular and frequently used tools for docking.

Prior to docking, the data (protein crystal structures and ligands) should be prepared with great attention to chemistry-related molecular details.

Prior to docking, the data (protein crystal structures and ligands) should be prepared with great attention to molecular and chemical details.

Structure activity relationships observed for 1a analogs and docking simulation data suggest that the para-substituted amido moiety of these compounds could occupy two potential hydrophobic binding pockets in SIRT2.

A summary of the iron III) coordination chemistry of ALC, protein modeling and docking, fluorescence data, protein gel, and amino acid residue comparison.