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

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Arkin H.

INTERNATIONAL JOURNAL OF MODERN PHYSICS C, vol.15, no.7, pp.933-937, 2004 (SCI-Expanded)

• Publication Type: Article / Article
• Volume: 15 Issue: 7
• Publication Date: 2004
• Doi Number: 10.1142/s0129183104006352
• Journal Name: INTERNATIONAL JOURNAL OF MODERN PHYSICS C
• Journal Indexes: Science Citation Index Expanded (SCI-EXPANDED), Scopus
• Page Numbers: pp.933-937
• Hacettepe University Affiliated: No

Abstract

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.