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Our understanding of the nature of nuclear particles is based on their mode of interaction with matter.
In current study, biotransformed products 2 7 were also evaluated in silico to understand their mode of interaction with the BChE.
Thus current study might help in designing and synthesis of effective inhibitors for this novel drug target and understanding their mode of interaction with the potent anthelmintic drugs.
Membrane-active peptides participate in many cellular processes, and therefore knowledge of their mode of interaction with phospholipids is essential for understanding their biological function.
Understanding their mode of interaction with membranes and the reasons underlying their ability to distinguish between bacterial and eukaryotic cytoplasmic cells is crucial for any rational attempt to improve this selectivity.
This review provides current perspectives on (i) the classification of scorpion α-toxins, (ii) their mode of interaction with sodium channels and pharmacological divergence, (iii) molecular details on their bioactive surfaces and differences associated with preference for channel subtypes, as well as (iv) a summary of the present knowledge about elements involved in constituting receptor site-3.
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In order to understand their mode of interactions with IN active site, we docked all the compounds onto the previously reported X-ray crystal structure of IN.
The top scoring compounds were analyzed to find their mode of interactions with the mycobacterium phosphatase.
The two top scoring compounds, shown in Figures 6a and 6b, were studied to find their mode of interactions with the target protein.
The natural compounds with predictive pIC50 values above 1.42 were prepared for docking studies to study their mode of interactions with mPTPB.
To facilitate this notion, the key residues of NEMO and IKKβ chains which form H-bonds with corresponding residues in the two chains as reported [ 25] were made flexible in order to observe their mode of interactions with the ligand and to account for the subsequent rearrangements.
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