Searching low-energy conformations of two elastin sequences

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OLĞAR H.

EUROPEAN PHYSICAL JOURNAL B, cilt.37, sa.2, ss.223-228, 2004 (SCI-Expanded) identifier identifier

  • 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
  • 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.