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Results obtained by spectroscopic methods are consistent with that of the molecular modeling study.
To determine detailed information concerning the structure activity relationship, a preliminary molecular modeling study was undertaken.
The fluorescence experimental results were in agreement with the results obtained by molecular modeling study.
A molecular modeling study suggested that these structures might have a brequinar-like binding mode.
Furthermore, the interactive binding model of (S -24o with c-Met waS -24oidated by virtue of a molecular modeling study.
A Lineweaver-Burk plot and molecular modeling study showed that compound 7f targeted both the CAS and PAS of AChE.
A molecular modeling study was conducted in order to rationalize the experimental data, and the structure-receptor affinities are discussed.
The data obtained by the molecular modeling study revealed the surrounding residues of HSA and BSA around Co (III) DiAmsar.
A Lineweaver Burk plot and molecular modeling study showed that these compounds targeted both the catalytic active site (CAS) and peripheral anionic site (PAS) of AChE.
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A Lineweaver Burk plot and molecular modeling study showed that compound 7c targeted both the CAS and PAS of ChEs.
Consistently with this, molecular modeling study revealed that the triazole part of 39 could provide additional interactions to the S3′ subsite of renin active site.
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