Replica Exchange
Efficient Conformational Sampling of Proteins Using Fragment-Based Replica-Exchange Method with Adaptive Parameter Tuning
... A VARIANT of multidimensional REM with automatic parameter tuning has been developed. We have devel- oped the fragment-based replica-exchange method, which is based on the existence of a correlation between ...
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Cavity Closure of 2-Hydroxypropyl- -cyclodextrin: Replica Exchange Molecular Dynamics Simulations
... per replica including equilibration step for 5 ns, and the conformations at all temperatures were collected every 1 ps for 25 ...reasonable replica exchange ...
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Thermodynamic and kinetic stability of the Josephin Domain closed arrangement: evidences from replica exchange molecular dynamics
... demanding Replica Exchange Molecular Dynamics, Deriu and colleagues were able to propose a mechanism of the open-close pathway and to estimate the thermodynamics and kinetics parameters of the ...
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The Application of Distributed Computing to the Investigation of Protein Conformational Change
... The replica exchange simulations presented here were run at a time when the condor cluster was experiencing a higher than normal amount of ...the replica exchange simulations would be ...
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Grid computing and biomolecular simulation
... This Condor cluster was chosen as, for our purposes, it was a good model for a computational Grid. The Condor cluster provided a distributed, heterogeneous resource of processors that were geographically diverse, managed ...
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Theoretical Approaches to the Characterization of Water, Aqueous Interfaces, and Improved Sampling of Protein Conformational Changes
... Methods to advance the understanding of water and other aqueous systems are devel- oped. This work falls into three areas: The creation of better interaction potentials for water, the development of superior methods for ...
102
PubMedCentral-PMC4769271.pdf
... Further, transition states identified by PATH coincide closely with stationary points of free energy surfaces derived using replica-exchange DMD simulations. That evidence validates the use of PATH by a ...
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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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On replica-nondiagonal large N saddles in the SYK model
... the replica bilocal fields, beyond the replica-diagonal ...of replica-nondiagonal saddle points in the IR limit, where the sad- dle point equations are ...the replica- nondiagonal solutions ...
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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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HaRD: a heterogeneity-aware replica deletion for HDFS
... Changing the replication factor also changes the block distribution on the cluster. The influence of increasing the replication factor has been widely studied [9, 15, 16]. How- ever, our previous work [17] was the first ...
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Research of transport and deposition of aerosol in human airway replica
... This paper deals with experimental measurement of velocity and size of aerosol particles in transparent realistic model of human airways and with experimental measurements of aerosol [r] ...
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Knowledge based Replica Management in Data Grid Computation
... Abstract . As the number of scientific disciplines has increased, the large data collections are emerging as important community resources. In domains as high energy physics, and computational genomic, the volume of ...
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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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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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Dfinity Consensus, Explored
... Byzantine replica proposes and votes for a worse-ranked block, honest replicas must account for the possibility that this vote comes from an honest replica, in which case, a conflicting certificate may have ...
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Fast Detection Of Replica Node In Mobile Sensor Network
... We propose a mobile replica detection scheme by leveraging this intuition. Our scheme is based on the Sequential Probability Ratio Test which is a statistical decision process.[3] Hence, we must use some other ...
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Enhanced Clustering Technique to Find Replica Nodes in WSN
... Zhou 1 A randomized, efficient, and distributed protocol for the detection of node replication attacks in wireless sensor networks, “: 8th ACM international symposium on Mobile ad hoc ne[r] ...
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A Study on Creation of Human 3D Replica from 2D Images
... International Journal of Scientific Research in Computer Science, Engineering and Information Technology CSEIT1833449 | Received 20 March 2018 | Accepted 10 April 2018 | March April 2018 [ (3 ) 3 1278[.] ...
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