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Replica-exchange multicanonical and multicanonical replica-exchange Monte Carlo simulations of peptides. II. Application to a more complex system.
- Source :
- Journal of Chemical Physics; 4/8/2003, Vol. 118 Issue 14, p6676, 13p, 2 Diagrams, 4 Charts, 12 Graphs
- Publication Year :
- 2003
-
Abstract
- In Paper I of this series the formulations of the replica-exchange multicanonical algorithm and the multicanonical replica-exchange method for Monte Carlo versions have been presented. The effectiveness of these algorithms were then tested with the system of a penta peptide, Met-enkephalin, in the gas phase. In this article the detailed comparisons of performances of these algorithms together with the regular replica-exchange method are made, taking a more complex system of a 17-residue helical peptide. It is shown that these two new algorithms are more efficient than the regular replica-exchange method. [ABSTRACT FROM AUTHOR]
- Subjects :
- ALGORITHMS
MONTE Carlo method
Subjects
Details
- Language :
- English
- ISSN :
- 00219606
- Volume :
- 118
- Issue :
- 14
- Database :
- Complementary Index
- Journal :
- Journal of Chemical Physics
- Publication Type :
- Academic Journal
- Accession number :
- 9386433
- Full Text :
- https://doi.org/10.1063/1.1555849