A combination of replica exchange Monte Carlo and energy landscape paving algorithms to increase the effectiveness of conformational sampling

Arkin H.

INTERNATIONAL JOURNAL OF MODERN PHYSICS C, cilt.15, sa.7, ss.933-937, 2004 (SCI-Expanded) identifier identifier

  • Yayın Türü: Makale / Tam Makale
  • Cilt numarası: 15 Sayı: 7
  • Basım Tarihi: 2004
  • Doi Numarası: 10.1142/s0129183104006352
  • Dergi Adı: INTERNATIONAL JOURNAL OF MODERN PHYSICS C
  • Derginin Tarandığı İndeksler: Science Citation Index Expanded (SCI-EXPANDED), Scopus
  • Sayfa Sayıları: ss.933-937
  • Hacettepe Üniversitesi Adresli: Hayır

Özet

A combination of replica exchange Monte Carlo sampling techniques and energy landscape paving approach is presented. This hybrid algorithm combines the features of the energy landscape paving (ELP) and replica exchange methods (REM). I have tested its performance in studying the low-energy conformations of the benchmark peptide Met-enkephalin.