Searching low-energy conformations of two elastin sequences
EUROPEAN PHYSICAL JOURNAL B, cilt.37, sa.2, ss.223-228, 2004 (SCI-Expanded, Scopus)
- Yayın Türü: Makale / Tam Makale
- Cilt numarası: 37 Sayı: 2
- Basım Tarihi: 2004
- Doi Numarası: 10.1140/epjb/e2004-00050-0
- Dergi Adı: EUROPEAN PHYSICAL JOURNAL B
- Derginin Tarandığı İndeksler: Science Citation Index Expanded (SCI-EXPANDED), Scopus
- Sayfa Sayıları: ss.223-228
- Açık Arşiv Koleksiyonu: AVESİS Açık Erişim Koleksiyonu
- Ankara Üniversitesi Adresli: Hayır
Özet
The three-dimensional structures of two common repeat motifs Val(1)-Pro(2)-Gly(3)-Val(4)-Gly(5) and Val(1)-Gly(2)-Val(3)-Pro(4)-Gly(5)-Val(6)-Gly(7)-Val(8)-Pro(9) of tropoelastin are investigated by using the multicanonical simulation procedure. By minimizing the energy structures along the trajectory the thermodynamically most stable low-energy microstates of the molecule are determined. The structural predictions are in good agreement with X-ray diffraction experiments.