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Eight molecules were selected on the basis of structure diversity to build 10 different pharmacophore models.
In this study, we designed and synthesized a series of 1 (C4) analogs on the basis of structure activity relationship and molecular modeling.
The fracture and strengthening mechanisms of Cu/Ti3SiC2/C nanocomposites are explored on the basis of structure and composition of Cu/Ti3SiC2/C nanocomposites with formation and function of interface.
This system creatively combines the telecentric imaging model and the Scheimpflug condition on the basis of structure light stereoscopic vision, having benefits of a wide measurement range, high accuracy, fast speed, and low price.
The ongoing expansion of our knowledge about the molecular basis of structure and function of diverse biological entities and processes presents us with both huge opportunities and challenges to improve our understanding of disease.
On the basis of structure, function and ligand binding sites, competitive EMR2 inhibitors designed may decrease the rate of human diseases like Usher's syndrome, bilateral frontoparietal polymicrogyria and PKD.
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On the basis of structure-based bioisosteric replacement and molecular hybridization strategy, a series of novel dual structural-conformation inhibitors targeting the "entrance channel" of HIV-1 NNRTIs binding pocket (NNIBP) were designed and synthesized.
Because of these characteristics, they appear to be suitable for comparative studies to elucidate the basis of structure-function relationships.
Docking and scoring large libraries of ligands against target proteins forms the basis of structure-based virtual screening.
On the basis of structure-activity relationships (SARs) of xanthine derivatives, we designed a novel selective adenosine A2B receptor antagonist, 3-isobutyl-8-pyrrolidinoxanthine (IPDX), with potency greater than that of enprofylline.
Potential metal-binding sites were designed within hMT-2 on the basis of structures generated by homology modeling.
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