molecular understanding of three-dimensional (3d) peptide: mhc models require both basic knowledge of computational modeling and skilled visual perception, which are not possessed by all students. the present model aims to simulate mhc molecular structure with the hands and make a profound impression on the students.

a molecular imprinted polymer (mip) was computationally designed and synthesized for the selective extraction of metaproterenol (mtp), from human plasma. in this regards semi empirical mp3 and mechanical quantum (dft) calculations were used to find a suitable functional monomers. on the basis of computational and experimental results, acrylic acid (aa) and dmso:meoh (90:10 %v/v) were found to b...

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...

understanding the genetic regulatory networks, the discovery of interactions between genes, and understanding regulatory processes in a cell at the gene level, is one of the major goals of system biology and computational biology. modeling gene regulatory networks, describing the actions of the cells at the molecular level and is used in medicine and molecular biology applications such as metab...

despite a quite short early history, computational drug design and discovery methods can now be efficient in reducing costs and speeding up drug developing procedure. melanocortin-4 receptor (mc4r) is a g protein-coupled receptor implicated in the regulation of body weight. despite its clinical reputation, there is a lack of in-depth knowledge about structure and behavior of mc4r in lipid bilay...

advanced technologies in molecular biology and modern experimental biophysics heavily rely not only on the knowledge of structure of essential proteins but also on their structural dynamics. the function of these bimolecular systems and the pathways along which the biological phenomena take place can be determined based on the knowledge of the molecular structure and behavior. as such, the simp...

conclusions based on the location of detected rccs in the structure of hbv proteins, it was found that these rccs may have a critical role in correct folding of hbv proteins and can be considered as drug targets. the results of this study provide new and deep perspectives about structure of hbv proteins for further researches and designing new drugs for treatment of hbv. results the pfam search...

dense medium cyclone is a high capacity device that is widely used in coal preparation. it is simple in design but the swirling turbulent flow, the presence of medium and coal with different density and size fraction and the presence of the air-core make the flow pattern in dmcs complex. in this article the flow pattern simulation of dmc is performed with computational fluid dynamics and fluent...