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» Asynchronous replica exchange for molecular simulations
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JCC
2008
122views more  JCC 2008»
13 years 3 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
ICPP
2006
IEEE
13 years 11 months ago
Salsa: Scalable Asynchronous Replica Exchange for Parallel Molecular Dynamics Applications
— This paper presents Salsa, a novel, decentralized and asynchronous realization of the “replica exchange” algorithm for simulating the structure, function, folding, and dyna...
Li Zhang, Manish Parashar, Emilio Gallicchio, Rona...
IPPS
2006
IEEE
13 years 10 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
13 years 11 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