| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 9582202 | Chemical Physics Letters | 2005 | 7 Pages |
Abstract
A peptide with the sequence Ac-YGKAAAAKAAAAKAAAAKC-amide is studied with replica-exchange molecular dynamics simulations. We performed two different simulations in this study: one with no constraint and the other with one end fixed. The latter condition was introduced in order to understand the effects of fixing one end in single-molecule imaging techniques. We analyzed our simulation results utilizing principal component analysis. The free-energy landscape showed that fixing one end of the peptide limits the motion of the peptide backbone.
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Authors
Y. Kawashima, Y. Sugita, T. Yoda, Y. Okamoto,