Proteins are macromolecules in perpetual motion, switching between structural states to modulate their function. A detailed characterization of the precise yet complex relationship between protein structure, dynamics,...
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ISBN:
(纸本)9781467367981
Proteins are macromolecules in perpetual motion, switching between structural states to modulate their function. A detailed characterization of the precise yet complex relationship between protein structure, dynamics, and function requires elucidating transitions between functionally-relevant states. Doing so challenges both wet and dry laboratories, as protein dynamics involves disparate temporal scales. In this paper we present a novel, sampling-based algorithm to compute transition paths. The algorithm exploits two main ideas. First, it leverages known structures to initialize its search and define a reduced conformation space for rapid sampling. This is key to address the insufficient sampling issue suffered by sampling-based algorithms. Second, the algorithm embeds samples in a nearest-neighbor graph where transition paths can be efficiently computed via queries. The algorithm adapts the probabilistic road map framework that is popular in robot motion planning. In addition to efficiently computing lowestcost paths between any given structures, the algorithm allows investigating hypotheses regarding the order of experimentally-known structures in a transition event. This novel contribution is likely to open up new venues of research. Detailed analysis is presented on multiple-basin proteins of relevance to human disease. Multiscaling and the AMBER fll2SB force field are used to obtain energetically-credible paths at atomistic detail.
The seismic precursory data collecting system, which includes short-circuit noise, frequency band, and dynamic range, is an important link in the digitalization of seismic monitoring systems. The digital requirements ...
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Reconfigurable computingsystems with internal distributed memory are a promising element base for the creation of scalable systems of 'intelligent' processing of large amounts of both structured and unstructu...
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The NeurAge (Neural agents) system has been proposed as an alternative to transform the centralized decision making process of a multi-classifier system into a distributed, flexible and incremental one. This system ha...
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The brain-computer interfaces (BCI) technology is able to help dysfunctional people recover their motor functions. Electroencephalography (EEG) is an effective noninvasive method to construct BCI. Motor imagery (MI) p...
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The accurate detection of lateral walking gait phases is essential for the effective implementation of hip exoskeleton systems in lateral resistance walking exercises. However, limitations in hardware, such as memory ...
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ISBN:
(纸本)9798350344646;9798350344639
The accurate detection of lateral walking gait phases is essential for the effective implementation of hip exoskeleton systems in lateral resistance walking exercises. However, limitations in hardware, such as memory and computing power, in the microcontrollers of wearable devices, significantly impact the size and training speed of the lateral walking gait phase detection model, thus affecting the exoskeleton system. This study proposes a data optimization algorithm that utilizes K-means clustering combined with commonly used machine learning algorithms, including Random Forests (RF), Support Vector Machines (SVM), and k-Nearest Neighbors (KNN), to reduce both the training time and size of the model. With the implementation of this algorithm, the training time and model size of RF, SVM, and KNN-based models are reduced by 89.6%, 99.8%, and 97.9%, and 89.6%, 92.7%, and 95.2% respectively. The corresponding gait phase prediction accuracy experiences only a slight decrease of 1.6%, 1.7%, and 2.8% respectively. This method ensures a sufficiently high accuracy in detecting lateral walking gait phases while simultaneously achieving higher efficiency and a smaller model size.
This paper presents and evaluates a data centric adaptive in-network aggregation algorithm for wireless sensor networks. In-Network data aggregation is used in wireless sensor networks to reduce the power consumption ...
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The continuous improvement of the manufacturing sector and the quick development of metropolitan areas, a substantial amount of manufacturing and household sewage is discharged untreated into water resources. The incr...
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In this paper, an experience to approach the competence about ethical aspects of the profession is presented. Following an existing methodology, several cases are presented to the students in order to determine if peo...
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ISBN:
(纸本)9783319473642;9783319473635
In this paper, an experience to approach the competence about ethical aspects of the profession is presented. Following an existing methodology, several cases are presented to the students in order to determine if people involved have had a professional or ethical behaviour. Codes of professional ethics or conduct have been also discussed with the students. The experience has been successful since students have actively participated and valued the methodology positively. This solves the lack of prior training in these ethical aspects.
Conducting realistic cloud experiments to evaluate new management strategies is very expensive and risky. In recent years, the research community proposes various simulation software toolkits and frameworks to provide...
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ISBN:
(纸本)9781665426060
Conducting realistic cloud experiments to evaluate new management strategies is very expensive and risky. In recent years, the research community proposes various simulation software toolkits and frameworks to provide a platform and the necessary building blocks for modeling an optimized virtual machine consolidation in cloud data centers. The models proposed by these frameworks are usually not exhaustive and address a specific management problem or task. The proposed simulation toolkit addresses the dynamic virtual machine consolidation problem, provides various types of simulation, ensures a wide range of logging and debugging information such as performance indicators and charts, and allows to determine optimal model parameters for various modes of operation minimizing the number of active physical machines and decreasing the number of SLA violations.
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