In this paper, the effects of container size on the porosity of random loose packing of mono size particles have been investigated using an Event Dynamics (ED) based model. Simultaneous effects of square container walls on particles packing and their order are also investigated. Our simulation results indicate higher container size will increase the total packing factor and high density regions...

the determination of gyration radius is a strong research for configuration of a macromolecule. italso reflects molecular compactness shape. in this work, to characterize the behavior of theprotein, we observe quantities such as the radius of gyration and the average energy. we studiedthe changes of these factors as a function of temperature for acetylcholine receptor protein in gasphase with n...

the acceptance of the right project which leads to the realization of the set objectives is one of the most important issues in project-oriented companies. therefore, corporate managers prefer to work on those projects which ensures the achievement of goals such as increasing financial profits or being the top brands in their rivals market. the present  research aimed at introducing  a systemat...

the acceptance of the right project which leads to the realization of the set objectives is one of the most important issues in project-oriented companies. therefore, corporate managers prefer to work on those projects which ensures the achievement of goals such as increasing financial profits or being the top brands in their rivals market. the present  research aimed at introducing  a systemat...

potassium channels allow potassium flux and are essential for the generation of electric current acrossexcitable membranes. potassium channels are also the targets of various intracellular controlmechanisms; such that the suboptimal regulation of channel function might be related to pathologicalconditions. realistic studies of ion current in biologic channels present a major challenge for compu...

We propose an efficient Monte Carlo algorithm for the off-lattice simulation of dense hard sphere polymer melts using cluster moves, called event chains, which allow for a rejection-free treatment of the excluded volume. Event chains also allow for an efficient preparation of initial configurations in polymer melts. We parallelize the event chain Monte Carlo algorithm to further increase simula...

Microscopic models are state of the art for computer simulation of pedestrian dynamics. The modeling of the individual movement of pedestrians is used to design a description of macroscopic pedestrian flow which allows e.g. the evaluation of escape routes, the design of pedestrian facilities and the study of more theoretical questions. For a first overview see [1–3]. One primary test, whether a...

serum albumin is the most aboundant protein in blood plasma. its two major roles aremaintaining osmotic pressure and depositing and transporting compounds. in this paper,albumin-methanol solution simulation is carried out by three techniques including montecarlo (mc), molecular dynamic (md) and langevin dynamic (ld) simulations. byinvestigating energy changes by time and temperature (between 27...