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JCC
2008
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13 years 10 months ago
Asynchronous replica exchange for molecular simulations
: An asynchronous implementation of the replica exchange method that addresses some of the limitations of conventional synchronous replica exchange implementations is presented. In...
Emilio Gallicchio, Ronald M. Levy, Manish Parashar
IPPS
2006
IEEE
14 years 5 months ago
Parallel implementation of the replica exchange molecular dynamics algorithm on Blue Gene/L
The Replica Exchange method is a popular approach for studying the folding thermodynamics of small to modest size proteins in explicit solvent, since it is easily parallelized. Ho...
Maria Eleftheriou, Aleksandr Rayshubskiy, Jed W. P...
GRID
2007
Springer
14 years 5 months ago
Grid-based asynchronous replica exchange
— Replica exchange is a powerful sampling algorithm and can be effectively used for applications such as simulating the structure, function, folding, and dynamics of proteins and...
Zhen Li, Manish Parashar