کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
442938 692434 2010 14 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
A coarse-grained molecular model for actin–myosin simulation
موضوعات مرتبط
مهندسی و علوم پایه شیمی شیمی تئوریک و عملی
پیش نمایش صفحه اول مقاله
A coarse-grained molecular model for actin–myosin simulation
چکیده انگلیسی

We describe a very coarse-grained molecular model for the simulation of myosin V on an actin filament. The molecular representation is hierarchical with the finest level representing secondary structure elements (end-points) which are grouped into domains which are then grouped into molecules. Each level moves with a Brownian-like motion both in translation and rotation. Molecular integrity is maintained by steric exclusion and inter-domain restraints. A molecular description is developed for a myosin dimer on a actin filament with binding interactions also specified between domains to simulate both loose and tight binding. The stability of the model was tested in the pre- and post-power-stroke conformations with simulations in both states being used to test the preferred binding site of the myosin on the filament. The effects of the myosin twofold symmetry and the restriction of an attached cargo were also tested. These results provide the basis for the development of a dynamic model of processive motion.

ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Journal of Molecular Graphics and Modelling - Volume 29, Issue 2, September 2010, Pages 266–279
نویسندگان
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