A fast and effective conformational search method for peptides

OLĞAR H., Celik T.

INTERNATIONAL JOURNAL OF MODERN PHYSICS C, cilt.14, sa.7, ss.985-991, 2003 (SCI-Expanded, Scopus)

  • Yayın Türü: Makale / Tam Makale
  • Cilt numarası: 14 Sayı: 7
  • Basım Tarihi: 2003
  • Doi Numarası: 10.1142/s0129183103005121
  • Dergi Adı: INTERNATIONAL JOURNAL OF MODERN PHYSICS C
  • Derginin Tarandığı İndeksler: Science Citation Index Expanded (SCI-EXPANDED), Scopus
  • Sayfa Sayıları: ss.985-991
  • Anahtar Kelimeler: conformation sampling, energy landscape paving, peptides, energy minimization, POTENTIALS, SIMULATION, EFFICIENCY
  • Ankara Üniversitesi Adresli: Hayır

Özet

We propose a hybrid algorithm, which combines the features of the energy landscape paving (ELP) and Monte Carlo Minimization (MCM) methods. We have tested its performance in studying the low-energy conformations of the heptapeptide deltorphin.