PrPC conversion to PrPSc isoform is the main known cause for prion diseases including Crutzfeldt-Jakob, Gerstmann-Sträussler-Sheinker syndrome and fatal familial insomnia in human. The precise mechanism underling this conversion is yet to be well understood. In the present work,  using the coordinate file of PrPC (available on the Protein Data Bank) as a starting structure, separate molecular d...

an interactive application, modelface, was presented for modeller software based on windows platform. the application is able to run all steps of homology modeling including pdb to fasta generation, running clustal, model building and loop refinement. other modules of modeler including energy calculation, energy minimization and the ability to make single point mutations in the pdb structures a...

A mixing rule for the mixtures of hard-spheres is presented which can be reduced to the standard van der Waals mixing rule at low densities. The effectiveness of the mixing rule for the size and energy parameters of lennard-Jones fluid are examined by combining them with an equation of state to calculate thermodynamic properties. The results of calculation are compared with the molecular dy...

The effect of membrane molecular weight cut off (MWCO) at three levels (10, 20 & 50 kD) on dynamic behavior of permeate flux (JP), hydraulic resistances (total hydraulic resistance, RT; reversible fouling resistance, Rrf; irreversible fouling resistance, Rif and membrane hydraulic resistance, Rm) and milk solutes rejection (protein, R<s...

Graphene sheet including single vacancy, double vacancy and Stone-Wales with armchair and zigzag structure was simulated using molecular dynamics simulation. The effect of defects on shear’s modulus, shear strength and fracture  strain was investigated. Results showed that these shear properties reduce when the degrees of all kinds of defects increase. The dangling bond in SV and DV defected gr...