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 İndekslerine Giren Dergi) identifier identifier

  • Cilt numarası: 15 Konu: 7
  • Basım Tarihi: 2004
  • Doi Numarası: 10.1142/s0129183104006352
  • Dergi Adı: INTERNATIONAL JOURNAL OF MODERN PHYSICS C
  • Sayfa Sayıları: ss.933-937

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.