|۱- قسمتی, ز., محمدی نژاد, س., "بررسی سازوکار انتقال انتخابی از میان کمپلکس منفذ هسته سلول-شبیهسازی دینامیک مولکولی", مجله علمی-
پژوهشی پژوهشهای سلولی و مولکولی (زیست شناسی ایران), ۱-۱۸, (۱۳۹۵).|
Nuclear pore complexes (NPCs) are selectively gated pathways between nucleoplasm and cytoplasm. Whereas small molecules can diffuse freely through NPCs, large molecules can pass only when bound to transport receptors. The NPC central channel is filled with disordered proteins, rich in phenylalanine-glycine (FG) repeats, called FGnups which are claimed to be responsible for selective function of NPCs. In this paper, the individual and collective behavior of Nsp۱, as a representative of FG nups, has been studied using coarse-grained molecular dynamics simulations. In our coarse-grained model, detailed hydrophobic properties of amino acids are considered. Our simulation results show that individual FG-nups form globular structures, whereas arrays of FG-nups tethered to a planar surface, form extended and brush-like structures. Moreover, NTF۲ (Nuclear Transport Factor ۲), as a transport receptor is observed to penetrate inside brush and also leads to its collapse. These observations indicate that virtual-gate model could be a suitable model for describing selective transport through NPCs.