نتایج جستجو برای: tight binding method
تعداد نتایج: 2050197 فیلتر نتایج به سال:
in recent years many researchers have been focused on interaction of small molecules with dna. dna is generally the primary intracellular of anticancer drugs, so the interaction between small molecules and dna can cause dna damage in cancer cells, blocking the division of cancer cells and resulting in cell death. the flavonoids are a large group of polyphenolic natural products that are widely ...
Recombinant neuronal nitric-oxide synthase (nNOS) expressed in baculovirus-infected Sf9 cells contains approximately 1 equiv of tightly bound tetrahydrobiopterin (BH4) per dimer and binds a second equivalent with a dissociation constant in the 10(-7)-10(-6) M range. Less is known about the pterin-binding properties of nNOS originating from expression systems such as Escherichia coli that do not...
finite normalized tight frames are interesting because they provide decompositionsin applications and some physical interpretations. in this article,we give a recursive method for constructing them.
The semi-empirical tight-binding methods GFN1-xTB and GFN2-xTB are applied to calculations of structure, energy normal vibrations the molecule 2-(2'-hydroxyphenyl)benzoxazole undergoing excited state intramolecular proton transfer. results compared with ones obtained by density-functional hydrogen interaction corrections density functional theory. method is found provide good correspondence mor...
نمودار تعداد نتایج جستجو در هر سال
با کلیک روی نمودار نتایج را به سال انتشار فیلتر کنید