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HYDE [1] is such a scoring function, considering the essential interactions in protein-ligand complexes.
By retaining only the essential interactions between the major structure and attached components, the analysis is much simplified.
Such low resolution structures are also often lacking the information of essential interactions between the effector molecule and the target protein because of unresolved side chains.
Indeed, a simple rational correlation approach is introduced to capture the essential interactions leading to higher transport coefficients in such high mass loaded aerosol systems.
In this work, further understanding of the significant and essential interactions between the ligand and the receptor was deciphered, through a combination of rational and random mutagenesis.
Furthermore, the protein binding patterns between 11a and AChE/BACE 1 showed that it makes several essential interactions with the enzymes.
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"Without this essential interaction, fertilisation just cannot happen.
"The Izumo-Juno pairing is the first known essential interaction for sperm-egg recognition in any organism," said co-author Dr Enrica Bianchi, also from the Sanger Institute.
Inhibition of IP3R by CaM and related proteins probably results from disruption of this essential interaction.
This all underlines the essential interaction between OSE and the stromal microenvironment.
The inhibitory effects of calmodulin and related proteins may result from disruption of this essential interaction.
More suggestions(15)
essential reactions
crucial interactions
decisive interactions
basic interactions
substantial interactions
essential interfaces
inevitable interactions
unavoidable interactions
essential relationships
essential relations
essential interconnections
essential interface
pivotal interactions
essential interactive
key interactions
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