کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
10997995 | 1364327 | 2016 | 7 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
A general overview on outer membrane protein (Omp) simulations
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کلمات کلیدی
موضوعات مرتبط
مهندسی و علوم پایه
مهندسی کامپیوتر
نظریه محاسباتی و ریاضیات
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چکیده انگلیسی
Membrane proteins (MPs) play an important role in protein folding, catalysis and molecular recognition. The advances of in silico capacity have enabled the study of MPs in lipids environment, which are difficult to study by experimental means. The increasing numbers of determined MPs structure has also aided in improving the accuracy of predictive structures. This allows a broader range of MPs to be simulated in order to elucidate the structure-function relationship. In this mini review, we discussed the general flow on MD simulations for the investigation of MP dynamics. Examples of molecular dynamics (MD) simulations on outer membrane protein (Omp), specifically OmpA and its variants, are also briefly described here.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Journal of Computational Science - Volume 17, Part 1, November 2016, Pages 285-291
Journal: Journal of Computational Science - Volume 17, Part 1, November 2016, Pages 285-291
نویسندگان
Yee Siew Choong, Roy Lee Yung-Hung,