Replica Exchange simulations
The Application of Distributed Computing to the Investigation of Protein Conformational Change
... a replica exchange simulation was compared to their use as dedicated nodes running a normal Molecular Dynamics ...the replica exchange simulation and identical simulation ...the replica ...
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Grid computing and biomolecular simulation
... the replica exchange simulations was formed over 64 individual trajectories of only ...the replica exchange ...these simulations was not able to migrate a calculation between ...
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PubMedCentral-PMC4769271.pdf
... Replica Exchange Discrete Molecular Dynamics (REX/DMD) simulations were set up with the Pdt state structure described ...general, replica exchange simulations are used for ...
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Intermediate magnetization state and competing orders in Dy2Ti2O7 and Ho2Ti2O7
... effective exchange constants of the real system, which consists of a far more complicated lattice once all the non-magnetic atoms are taken into account, it provides the key observation that, regardless the ...
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A Primary Shift Protocol for Improving Availability in Replication Systems
... underlying replica executes the following set of actions 1) Replica executes transaction procedure and updates the object in its local_store, 2) Replica triggers other replicas to update objects in ...
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Accounting for refrigeration heat exchange in energy performance simulations of large food retail buildings
... reality this heat is rejected externally meaning that refrigeration PHE will increase heating demand. In order to establish suitable thermal model inputs for the refrigeration PHE associated with the supermarket ...
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Transaction taxes, traders’ behavior and exchange rate risks
... Abstract: We propose a new model of chartist-fundamentalist-interaction in which both groups of traders are allowed to select endogenously between different forecasting models and different investment horizons. ...
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Ab initio Monte Carlo Studies on Magnetic Properties of Tetragonal L10 Ordered 3d/Au Superlattices
... calculated exchange parameters of bcc Fe from the selected four types spin arrangements, and estimated the Curie temperature by mean- field ...an exchange-coupled spin-fluctuation ...(MC) simulations ...
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Theoretical Approaches to the Characterization of Water, Aqueous Interfaces, and Improved Sampling of Protein Conformational Changes
... from the different initial conditions are still not converged after 22 ! 6 ns of total simulation time. The REDS2 simula- tions agree with each other more closely, after 5 ! 14 ns, but it is not clear if the RE and REDS2 ...
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A Dynamic Replication Mechanism for Data Grid Federation Systems, Based on Replica Placement Cost
... overall replica placement cost, by ignoring to consider site distance and file transfer time together as vital element for replica placement cost according to Almomani&Madi, ...new replica files, ...
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Dynamic Replica Management for Data Grid
... which replica location is the best for the grid ...the replica that should be accessed from a given location. Replica selection is complicated because it can involve several components including ...
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Selfish Less Replica Allocation in MANET
... the replica allocation ...selfish replica allocation will lead to poor data accessibility in a MANET as ...selfish replica allocation appropriately. By using Proxy replica server the ...
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An Empirical Analysis of the Dog of the Dow Strategy for the Taiwan Stock Market
... The most popular market index for the TWSE is the TAIEX (Taiwan Stock Exchange Capitalization Weighted Stock Index), which is calculated from the prices of all common stocks listed at TWSE. The index is a market ...
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HaRD: a heterogeneity-aware replica deletion for HDFS
... between replica management systems and the block placement is ...which replica should be deleted when the framework decides to reduce the replication factor? One simple approach would be to use HDFS’s ...
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EUSO@TurLab: An experimental replica of ISS orbits
... Besides direct light sources we can use materials over the tank surface to obtain a replica of Earth albedo. We can change the illumination in the tank room so to have different responses using the same material. ...
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Allosteric activation mechanism of bovine chymosin revealed by bias-exchange metadynamics and molecular dynamics simulations
... The conformational change occurs early on in the 80 ns simulation of system C3 (see sup- porting information). At 6 ns Tyr77 moves from a self-inhibiting position to open and re- mains in this state for 18 ns. In this ...
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Controlled Particle Transport in a Human Airway Replica
... Full set of experiments performed using the 2 SLPM flow rate and 0% and 40% nozzle in 15 degree increments.. Figure 7-7: Results from three seed exit locations using diesel smoke, thr[r] ...
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Fixed Width Replica Redundancy Block Multiplier
... reduced-precision replica (RPR), which removes soft errors accurately and saves energy Some ANT deformation designs are proposed in [5]–[9] and the ANT design is further extended to system level in ...
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Arthśastra: A Replica Of Social Dynamism In Ancient India
... Arthśastra is one of the important sources on ancient Indian social thought besides generally resorting the earlier social codes and practices and provides importa[r] ...
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Dynamics of liquid water in the anode flow channels of PEM fuel cells: A numerical parametric study
... VOF model. They placed a water droplet on the top wall of the channel at the start of the simulations and subsequently studied the effects of the hydrogen velocity, operating temperature and the channel walls ...
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