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...

A review of modeling techniques for predicting the mechanical behavior of polymer nanocomposites is presented. A detailed discussion of Computational Chemistry and Computational Mechanics modeling techniques is given. The specific molecular-based and continuumbased modeling approaches are described in terms of assumptions and theory. The approaches discussed are Ab initio simulations, Molecular...

Keywords: cytokine, EMAP II, nanoparticle, titanium dioxide, TiO2, computational modeling, molecular docking

Drug designing and molecular dynamic studies were an intense, lengthy and an inter-disciplinary venture. At present, a new approach towards the use of computational chemistry and molecular modeling for in-silico drug design. Computational in-silico drug design skills are used in bioinformatics, computational biology and molecular biology. Drug designing using in-silico methods is cost effective...

many diseases are related to cerebrospinal .uid (csf) hydrodynamics. therefore, understanding the hydrodynamics of csf .ow and intracranial pressure is helpful for obtaining deeper knowledge of pathological processes and providing better treatments. furthermore, engineering a reliable computational method is promising approach for fabricating in vitro models which is essential for inventing gen...