کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
443671 | 692748 | 2013 | 4 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
As good as it gets? Folding molecular dynamics simulations of the LytA choline-binding peptide result to an exceptionally accurate model of the peptide structure
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کلمات کلیدی
موضوعات مرتبط
مهندسی و علوم پایه
شیمی
شیمی تئوریک و عملی
پیش نمایش صفحه اول مقاله
![عکس صفحه اول مقاله: As good as it gets? Folding molecular dynamics simulations of the LytA choline-binding peptide result to an exceptionally accurate model of the peptide structure As good as it gets? Folding molecular dynamics simulations of the LytA choline-binding peptide result to an exceptionally accurate model of the peptide structure](/preview/png/443671.png)
چکیده انگلیسی
Folding simulations of a choline-binding peptide derived from the Streptococcus pneumoniae LytA protein converged to a model of the peptide's folded state structure which is in outstanding agreement with the experimentally-determined structures, reaching values for the root mean squared deviation as low as 0.24 Å for the peptide's backbone atoms and 0.65 Å for all non-hydrogen atoms.
Figure optionsDownload high-quality image (122 K)Download as PowerPoint slideHighlights
► We performed molecular dynamics folding simulation of a choline-binding peptide.
► An unbiased selection of a representative folded-state structure was performed.
► The agreement between experiment and simulation was outstandingly accurate.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Journal of Molecular Graphics and Modelling - Volume 41, April 2013, Pages 68–71
Journal: Journal of Molecular Graphics and Modelling - Volume 41, April 2013, Pages 68–71
نویسندگان
Ilias Patmanidis, Nicholas M. Glykos,