نتایج جستجو برای: molecular modeling studies
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the prevalence of obesity as one of the most health concerns has increased globally. this kind of disease has been accounted for several diseases such as type 2 diabetes, different types of cancer, heart disease, and alzheimer. obesity is a multifactorial disease that both environmental factors and genetics play important role in its susceptibly. in molecular biology, characterization of the ad...
nbo analysis and density functional theory (dft: b3lyp/6-311+g**) based method were used to study the impacts of the anomeric effects (ae) on the conformational properties of 2-methoxy-1,2,4,5-tetrahydro-benzo[d]oxepine (1), -thiepine (2) and -selenepine (3). the gibbs free energy difference (geq–gax) values (i.e. δgeq-ax) at 298.15 k and 1 atm between the axial and equatorial conformations inc...
the insertion of an olefinic c=c bond into a metal-carbon bond is of potential interest as a preparativeroute to new products and as results of c-c coupling reactions to organic compounds. the allyl compoundsof mg, react with an olefin by inversion of the allyl group via a six center transition state. these precyclicreactions may be one of the most important classes of organic reactions. the re...
Stereochemistry of the chloroperoxidase active site: crystallographic and molecular-modeling studies
β-cyclodextrin complexes of celecoxib: Molecular-modeling, characterization, and dissolution studies
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