objective(s) staphylococcus aureus is a leading cause of many nosocomial and community acquired infections. according to many reports, antibiotic therapy can not guarantee the eradication of s. aureus infections. thus designing an adhesin based vaccine could restrain the s. aureus infections. this study designed for construction of a new fusion protein vaccine against s. aureus infections based...

Immunological Synapse (IS) is a multi-molecular assembly functional structure formed at the interface of T lymphocyte and antigen presenting cell. These molecules include antigen presenting molecules, adhesion molecules, co-stimulatory molecules, and inhibitors or checkpoint molecules, etc. The spatial and temporal changes of these molecules determine the structure type and the function of the ...

several nonpeptide small molecules were designed as potential inhibitors of hiv protease and their structures were constructed by computer-aided molecular modeling and docked iwo the active site of hiv protease. models of the complexes of inhibitors and the hiv protease were refined using nonbonded and h-bonding terms. the refined energy of selected complexes showed that the designed inhibitors...

antimicrobial peptides (amps) are extensive group of molecules that produced by variety tissues of invertebrate, plants, and animal species which play an important role in their immunity response. amps have different classifications such as; biosynthetic machines, biological sources, biological functions, molecular properties, covalent bonding patterns, three dimensional structures, and molecul...

most reservoir fluids contain heavy paraffinic compounds that may precipitate as a solid or solid like material called wax if the fluid is cooled down. wax precipitation is a phenomenon of considerable importance in oil industry. an increase in aggregation results in enhanced oil viscosity. this however causes significant negative effects on production, transportation and processing of crude oi...

hydrogen bonding of dppe with water that surrounded of membrane, plays an important role in permeability ofmembrane that we were presented this matter with analysis of bond angles and torsion angles before and after ofadded water molecules.interaction with water molecules causes some changes in the geometry of dppe which were explained bythe contribution of zwitterionic form of dppe molecule, a...

the energy minima of systems made of an alanine molecule, a lithium cation and a various number of watermolecules have been determined with the help of quantum mechanical computations at the b3lyp densityfunctional theory level of computation and the standard 6-311++g (d,p) basis set. several structures, close inenergy are found and the presence of one or two water molecules around the cation m...