Sharif Digital Repository

Conjugation of proteins to nanoparticles has numerous applications in sensing, imaging, delivery, catalysis, therapy and control of protein structure and activity. Therefore, characterizing the nanoparticle–protein interface is of great importance. A variety of covalent and non-covalent linking chemistries have been reported for nanoparticle attachment. Typically, a specific protein residue is linked directly to the nanoparticle core or to the ligand. As conjugation often affects the protein structure and function, techniques to probe structure and activity are assessed Characterization studies of nanoparticle–protein complexes show that the structure and function are influenced by the... 

Predicting the Amino Acids that have a catalytic effect in the enzymes, is a big step in appointing the activity of the enzymes and classifying them. This is a very challenging job, because an Amino Acid can appear in a variety of active sites.The biological activity of a protein usually depends on the existence of a small number of Amino Acids. Detecting these Amino Acids from the sequence of Amino Acids has many applications. Usually, the Amino Acids that are preserved are known as the Amino Acids that build up the active site, but the algorithms for finding the preserved Amino Acids are much more complex. There are a lot of algorithms for predicting the active sites of Amino Acids, but... 

These days, self-assembly is one of the most significant phenomena in chemistry and biology. Although There are some Experiments and Simulations which help us to understand self-assembly much more than before, their mechanism is poorly understood. As a result, Calculating Free-energy landscape could be a great development in this area.We use the Flat-histogram monte Carlo algorithm to calculate the density of states of a complex system. In this way, there is a comparison between the exact density of states of Ising Model and the same quantities that are obtained from Flat histogram Method. After that, there would be a combination of statistical thermodynamics and Graph theory toward drawing... 

Membrane proteins aggregation is a very important biological phenomenon in a variety of cell functions. It has been suggested that aggregation behavior of membrane proteins is influenced by the shape of the hydrophobic domain of the proteins, proteins hydrophobic mismatch and bilayer curvature. However, in this study by means of coarse grained membrane simulations it has been found that in thermal equilibrium, protein-protein interactions also depend on protein rigidity and structural strength. Based on simulation results, we have observed stable large clusters even in the absence of hydrophobic mismatch between lipids and proteins. Interestingly, our results also indicate that proteins with...