%0 Journal Article
%T Functional structures and folding dynamics of two peptides
%A Sheng Yue-Biao
%A Li Jing
%A Ma Bao-Liang
%A Wang Wei
%A <br>盛乐标
%A 李菁
%A 马保亮
%A 王炜
%J 中国物理 B
%D 2005
%I 
%X The folding dynamics and structural characteristics of peptides RTKAWNRQLYPEW (P1) and RTKQLYPEW (P2) are investigated by using all-atomic simulation procedure CHARMM in this work. The results show that P1, a segment of an antigen, has a folding motif of α-helix, whereas P2, which is derived by deleting four residues AWNR from peptide P1, prevents the formation of helix and presents a β-strand. And peptide P1 experiences a more rugged energy landscape than peptide P2. From our results, it is inferred that the antibody CD8 cytolytic T lymphocyte prefers an antigen with a β-folding structure to that with an α-helical one.
%K peptide folding
%K molecular dynamics
%K protein secondary structure prediction<br>缩氨酸
%K 分子动力学
%K 蛋白质结构
%K 原子模拟
%U http://www.alljournals.cn/get_abstract_url.aspx?pcid=6E709DC38FA1D09A4B578DD0906875B5B44D4D294832BB8E&cid=47EA7CFDDEBB28E0&jid=CD8D6A6897B9334F09D8D1648C376FB4&aid=B8232ACFD42E9EA5201F73F4DC0EB0FF&yid=2DD7160C83D0ACED&vid=F3583C8E78166B9E&iid=708DD6B15D2464E8&sid=C61A07EE083A0198&eid=D0540156A5D11138&journal_id=1009-1963&journal_name=中国物理&referenced_num=0&reference_num=26