Comparison of the ELP and multicanonical methods in simulation of the heptapeptide deltorphin

OLĞAR H., Celik T.

EUROPEAN PHYSICAL JOURNAL B, cilt.30, sa.4, ss.577-580, 2002 (SCI-Expanded) identifier identifier

  • Yayın Türü: Makale / Tam Makale
  • Cilt numarası: 30 Sayı: 4
  • Basım Tarihi: 2002
  • Doi Numarası: 10.1140/epjb/e2002-00416-2
  • Dergi Adı: EUROPEAN PHYSICAL JOURNAL B
  • Derginin Tarandığı İndeksler: Science Citation Index Expanded (SCI-EXPANDED), Scopus
  • Sayfa Sayıları: ss.577-580
  • Ankara Üniversitesi Adresli: Hayır

Özet

To investigate the performance of the energy landscape paving (ELP) procedure for peptides, we apply it here to deltorphin, a linear heptapeptide with bulky side chains (H-Tyr(1)-D-Met(2)-Phe(3)-His(4)-Leu(5)-Met(6)-Asp(7)-NH2) and compare the results with the Multicanonical method (MUCA) in regard of finding the low-energy structures. Deltorphin is modeled in vacuum by the potential energy function ECEPP.