نتایج جستجو برای: Molecular modeling

تعداد نتایج: 1006998  

Journal: :journal of paramedical sciences 0
mohammad reza abbaszadegan division of human genetics, immunology research center,avicenna research institute, mashhad university of medical sciences (mums),mashhad morteza moghaddasian proteomics research center, shahid beheshti university of medical sciences, tehran mostafa rezaei tavirani proteomics research center, shahid beheshti university of medical sciences, tehran reza raeisossadati proteomics research center, shahid beheshti university of medical sciences, tehran maryam ebrahimi proteomics research center, shahid beheshti university of medical sciences, tehran reza roozafzoon proteomics research center, shahid beheshti university of medical sciences, tehran

as recent advancements in biology shows, the molecular machines specially proteins, rna and complex molecules play the main role of the so called cell functionality. it means a very big part of the system biology is concerned with the interactions of such molecular components. drug industries and research institutes are trying hard to better understand the concepts underlying these interactions...

پایان نامه :وزارت علوم، تحقیقات و فناوری - دانشگاه یاسوج - دانشکده علوم 1391

in this investigation the effect of external field on the electron density of nanostructures of cds, cdse, cdte, gaas and polymeric structure of three, four, five and six units of cds as a kind of nanosolar cells has been studied theoretically. as modeling this system in nanodimension, molecular structures has used. specific properties of molecular structures permit us to consider different sym...

Journal: :iranian journal of pharmaceutical sciences 0
zahra rezaei sciences research center, shiraz university of medical sciences, shiraz 71345, iran department of medicinal chemistry, faculty of pharmacy, and pharmaceutical mohammad mehdi zarshenas department of medicinal chemistry, faculty of pharmacy, and pharmaceutical andia khalili department of medicinal chemistry, faculty of pharmacy, and pharmaceutical soghra khabnadideh sciences research center, shiraz university of medical sciences, shiraz 71345, iran department of medicinal chemistry, faculty of pharmacy, and pharmaceutical mohammad reza jafari department of medicinal chemistry, faculty of pharmacy, and pharmaceutical

this study presents the influence of hydroxypropyl-β-cyclodextrin (hpbcd) on the aqueous solubility of acyl esters of cyproterone. first, a number of esters of cyproterone were synthesized. then the phase solubility analysis of the compounds in the presence of hpbcd was investigated in phosphate buffer solution at a ph of 7.4. to gain a better understanding of the complexation mechanism, the sy...

Journal: :iranian journal of pharmaceutical research 0
afshin zarghi department of medicinal chemistry, school of pharmacy, shahid beheshti university of medical sciences, tehran, iran iman sabakhi the scientific thecnological centre of organic and pharmaceutical chemistry nasraal. mnjoyan institute of fine organic chemistry, yerevan, armenia vigen topuzyan the scientific thecnological centre of organic and pharmaceutical chemistry nasraal. mnjoyan institute of fine organic chemistry, yerevan, armenia zahra hajimahdi department of pharmaceutical chemistry, school of pharmacy, shahid beheshti university of medical sciences, tehran, iran bahram daraie department of toxicology, school of medicine, tarbiat modarres university of medical sciences, tehran, iran

a group of regioisomeric 5-oxo-1,4,5,6,7,8 hexahydroquinoline derivatives possessing a cox-2 so2me pharmacophore at the para position of the c-2 or c-4 phenyl ring, in conjunction with a c-4 or c-2 phenyl (4-h) or substituted-phenyl ring (4-f,4-cl,4-br,4-ome,4-me, 4-no2), were designed for evaluation as selective cyclooxygenase-2 (cox-2) inhibitors. these target 5-oxo-1,4,5,6,7,8 hexahydroquino...

Journal: :iranian journal of public health 0
azadeh ebrahim-habibi bagher larijani

modeling and simulation techniques are now widely used alongside with their experimental counterparts in order to complement them, or sometimes to bring first insights into the possible outcome of experiments. “modeling” is a general word that could encompass a wide range of methods that could be applied to a variety of subjects and problems. here, the use of selected molecular modeling methods...

Journal: :iranian journal of basic medical sciences 0
maryam iman chemical injuries research center, baqiyatallah university of medical sciences, tehran, iran atefeh saadabadi department of medicinal chemistry, pharmaceutical sciences branch, islamic azad university, tehran, iran asghar davood department of medicinal chemistry, pharmaceutical sciences branch, islamic azad university, tehran, iran

objective(s): recently, phthalimide derivatives were designed based on ameltolide and thalidomide as they possess a similar degree of anticonvulsant potency due to their phenytoin-like profile. the ability of phthalimide pharmacophore to interact with neuronal voltage-dependent sodium channels was studied in the batrachotoxin affinity assay. therefore, in the present study, a series of 19 compo...

Journal: :journal of membrane science and research 0
gohar gholami department of chemical engineering, amirkabir university of technology, no.424, hafez ave., po box 15875-4413, tehran, iran mansooreh soleimani department of chemical engineering, amirkabir university of technology, no.424, hafez ave., po box 15875-4413, tehran, iran maryam takht ravanchi catalyst research group, petrochemical research and technology company, national petrochemical company, tehran, iran

carbon molecular sieve membranes (cmsms) have been considered as very promising candidates for gas separation, in terms of separation properties as well as thermal and chemical stability. due to the numerous advantages and wide applications of carbon membranes, their application for gas separation is of special importance. because of the importance of carbon membranes and a large number of stud...

Journal: :molecular biology research communications 2014
sajjad ahrari navid mogharrab

microtubule affinity-regulating kinase 2 (mark2) protein has a substantial role in regulation of vital cellular processes like induction of polarity, regulation of cell junctions, cytoskeleton structure and cell differentiation. the abnormal function of this protein has been associated with a number of pathological conditions like alzheimer disease, autism, several carcinomas and development of...

Journal: :applied biotechnology reports 0
mozafar mohammadi applied biotechnology research center, baqiyatallah university of medical sciences, tehran, iran peyman bemani recombinant antibody laboratory, dept. of immunology, shiraz university of medical sciences, shiraz, iran neda zarei department of biotechnology, school of veterinary medicine, shiraz university, shiraz, iran

phage elisa is a common method to confirm binding of obtained phages from phage display technique to related antigens. enzyme-conjugated antibody directed against the major capsid protein (pviii) or enzyme-conjugated secondary antibody against the primary antibody is used as a detection system in phage elisa. we have suggested to express an acid phosphatase (sapm) enzyme on m13 pix minor coat p...

Journal: :journal of physical & theoretical chemistry 2005
issa yavari hassan kabiri-fard

the results of mndo, am1 and pm3 semi-empirical calculations and hf/6-31g*, mp/6-31g*, mp2/6-311+g**, and b3lyp/6-311g** and qcisd/6-31g* ab initio methods for angle strain and conjugation effects in twist-boat, boat, and half-chair geometries of (z,z,z)-cycloocta-1,3,5-triene indicate that all methods, except pm3, predict wrong ordering of the conformations.

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