Molecular biologists frequently compare biosequences to see if any similarities can be found in the hope that what is true of one sequence either physically or functionally is true of its analogue. Such comparisons are made in a variety of ways, some via rigorous algorithms, others by manual means, and others by a combination of these two extremes. The topic of sequence comparison now has a ric...

This paper presents a novel method for the systematic implementation of low-power microelectronic circuits aimed at computing nonlinear cellular and molecular dynamics. The method proposed is based on the Nonlinear Bernoulli Cell Formalism (NBCF), an advanced mathematical framework stemming from the Bernoulli Cell Formalism (BCF) originally exploited for the modular synthesis and analysis of li...

Mechanics of CNT-reinforced nano-cellular PMMA nanocomposites are investigated using coarse-grained molecular dynamics simulations. Firstly, static uniaxial stretching of bulk PMMA polymer is simulated and the results are compared with literature. Then, nano-cellular foams with different relative densities are constructed and subjected to static uniaxial stretching and obtained stress-strain cu...

This work is conducted to obtain mechanical properties of microtubule. For this aim, interaction energy in alpha-beta, beta-alpha, alpha-alpha, and beta-beta dimers was calculated using the molecular dynamic simulation. Force-distance diagrams for these dimers were obtained using the relation between potential energy and force. Afterwards, instead of each tubulin, one sphere with 55 KDa weight ...

Background & Aims: The normal form of the prion protein is called PrPC and its infectious form is called PrPSc. This protein functions like a crystallized core for the transformation of PrPc into an abnormal PrPSc. The aim of the present study was to investigate the effect of temperature on human prion protein structure through molecular dynamic simulation. Methods: In this research, the GROMAC...

the thin gelatin films, prepared by casting of gelatin solutions at different drying temperatures, had different molecular morphologies as monitored, using wide angle x-ray diffraction (waxd) and differential scanning calorimetry (dsc) techniques. it was revealed that gelatin films dried at lower temperatures showed markedly higher crystalline or helical structure with slightly higher tg and lo...

Background and Aims: Congenital factor V (FV) deficiency is a rare bleeding disorder with 1 in 1000000 persons in the general population. Individuals with FV activity <1% and very low FV antigen levels are characterized as severe FV deficient patients. Little data is available about the molecular basis of this bleeding disorder in Iran. Materials and Methods: We analyzed 7 unrelated Iranian FV...

molecular dynamic simulation is a powerful method that monitors all variations in the atomic level in explicit solvent. by this method we can calculate many chemical and biochemical properties of large scale biological systems. in this work all-atom molecular dynamics simulation of polyalanine (pa) was investigated in the presence of 0.224, 0.448, 0.673, 0.897 and 1.122 m of guanidinium chlorid...