کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
5419252 | 1506973 | 2007 | 7 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
Theoretical investigation on the binding of lysine-containing peptides with dodecyl sulfate ion using semi-empirical calculations
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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: Theoretical investigation on the binding of lysine-containing peptides with dodecyl sulfate ion using semi-empirical calculations Theoretical investigation on the binding of lysine-containing peptides with dodecyl sulfate ion using semi-empirical calculations](/preview/png/5419252.png)
چکیده انگلیسی
Electrostatic part of the free energy plays an important role in the interaction of proteins with charged molecules. In addition, changes in the charge distribution on protein structure due to this interaction cause conformational changes in protein. Since investigations of these processes are difficult experimentally, the prediction methods using semi-empirical calculations have been extensively considered recently. In the present study, the electrostatic energy and conformational changes of di-, tri- and some oligo-peptides containing Lys were estimated after interaction with dodecyl sulfate ions by the semi-empirical method using PM3 calculations of Hyperchem 5.02. At non-aqueous media most DSâ-peptide complexes are preferred to β-sheet structure. In addition, the energy of interaction is considerably dependent on the amino acid next to the Lys residue. The positively charge amino acids favor the interaction while the negatively charged amino acids weaken it.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Journal of Molecular Structure: THEOCHEM - Volume 806, Issues 1â3, 31 March 2007, Pages 205-211
Journal: Journal of Molecular Structure: THEOCHEM - Volume 806, Issues 1â3, 31 March 2007, Pages 205-211
نویسندگان
Mohammad Motamedi, S. Zahra Bathaie, Bahram Hemmateenejad,