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Discover LudwigThe phrase "docking analyses" is correct and usable in written English
It can be used in scientific or technical contexts, particularly in fields like biochemistry or molecular biology, to refer to the study of how molecules interact with each other. Example: "The docking analyses revealed significant binding affinities between the drug and its target protein."
Exact(35)
The docking analyses further elucidated the binding relationship of YZG-331 and P-gp.
From docking analyses, we got the top 10 AChE inhibitors which were further evaluated by 8 different scoring functions.
Subsequently, hit optimization for potent and selective candidate Src inhibitors was performed through focused library design and docking analyses.
Novel small molecules targeting Mps1 were designed by computer assisted docking analyses, and several candidate compounds were synthesized.
According to our docking analyses, the drug resistance-related mutations could be identified from the changes in the predicted binding affinity.
On the basis of docking analyses, it was revealed that compound with highest activity (32) ranked at top position as compared to least active compound 46.
Similar(25)
As observed during our previous DCoA-docking analyses as well those by Obmolova et al., the DCoA molecule is oriented such that its ribose projects the 3'OH within hydrogen bonding distance to the catalytic aspartate, the distance between the hydroxyl and ATP γ-phosphate being 7 Å (5, 6).
In this study we utilised the molecular modelling program DOCK to analyse the 249,071 compounds of the National Cancer Institute Database and retrieved those compounds with high predicted affinity for XR.
The results of molecular docking and pharmacophore analyses indicated A299, T303, and L306 of a subunit were essential to form non-covalent interactions contacts with the ligands.
Based on the docking and CoMFA analyses, we have identified some key features in the aminopyridine carboxamides that are responsible for JNK-1 inhibitory activity.
We examined the effect of syntaxin deletion on secretory vesicle docking using morphometric analyses of electron micrographs.
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