Search results for "Computer Science Applications"
showing 10 items of 3993 documents
Human Inducible Hsp70: Structures, Dynamics, and Interdomain Communication from All-Atom Molecular Dynamics Simulations
2015
The 70 kDa human heat shock protein is a major molecular chaperone involved in de novo folding of proteins in vivo and refolding of proteins under stress conditions. Hsp70 is related to several "misfolding diseases" and other major pathologies, such as cancer, and is a target for new therapies. Hsp70 is comprised of two main domains: an N-terminal nucleotide binding domain (NBD) and a C-terminal substrate protein binding domain (SBD). The chaperone function of Hsp70 is based on an allosteric mechanism. Binding of ATP in NBD decreases the affinity of the substrate for SBD, and hydrolysis of ATP is promoted by binding of polypeptide segments in the SBD. No complete structure of human Hsp70 is…
Extracting modular-based backbones in weighted networks
2021
Abstract Networks are an adequate representation for modeling and analyzing a great variety of complex systems. However, understanding networks with millions of nodes and billions of connections can be pretty challenging due to memory and time constraints. Therefore, selecting the relevant nodes and edges of these large-scale networks while preserving their core information is a major issue. In most cases, the so-called backbone extraction methods are based either on coarse-graining or filtering approaches. Coarse-graining techniques reduce the network size by gathering similar nodes into super-nodes, while filter-based methods eliminate nodes or edges according to a statistical property.In…
Kinematic splitting algorithm for fluid–structure interaction in hemodynamics
2013
Abstract In this paper we study a kinematic splitting algorithm for fluid–structure interaction problems. This algorithm belongs to the class of loosely-coupled fluid–structure interaction schemes. We will present stability analysis for a coupled problem of non-Newtonian shear-dependent fluids in moving domains with viscoelastic boundaries. Fluid flow is described by the conservation laws with nonlinearities in convective and diffusive terms. For simplicity of presentation the structure is modelled by the generalized string equation, but the results presented in the paper may be generalized to more complex structure models. The arbitrary Lagrangian–Eulerian approach is used in order to take…
Adaptive mesh refinement techniques for high-order shock capturing schemes for multi-dimensional hydrodynamic simulations
2006
The numerical simulation of physical phenomena represented by non-linear hyperbolic systems of conservation laws presents specific difficulties mainly due to the presence of discontinuities in the solution. State of the art methods for the solution of such equations involve high resolution shock capturing schemes, which are able to produce sharp profiles at the discontinuities and high accuracy in smooth regions, together with some kind of grid adaption, which reduces the computational cost by using finer grids near the discontinuities and coarser grids in smooth regions. The combination of both techniques presents intrinsic numerical and programming difficulties. In this work we present a …
Unitary Space–Time Constellation Design Based on the Chernoff Bound of the Pairwise Error Probability
2008
Unitary space-time constellation design is considered for noncoherent multiple-antenna communications, where neither the transmitter nor the receiver knows the fading coefficients of the channel. By employing the Clarke's subdifferential theorem of the sum of the kappa largest singular values of a unitary matrix, we present a numerical optimization procedure for finding unitary space-time signal constellations of any dimension. The Chernoff bound of the pairwise error probability is used directly as a design criterion. The constellations are found by performing gradient descent search on a family ldquosurrogaterdquo functions that converge to the maximum pairwise error probability. The comp…
Estimation of recombinant protein production in Pichia pastoris base don a constraint-based model
2012
[EN] A previously validated constraint based model and possibilistic MFA have been used to design a simple estimator of protein production rate in Pichia pastoris cultures. A structured model of the yeast P. pastoris metabolism is used to predict the balance of key energetic equivalents such as ATP from available measurements, mainly substrate consumption, gases exchange rates and biomass specific growth. It has been shown that ATP flux can be related to biomass growth and protein productivity specific rates by linear regression. Cross-validation has been applied for robust parameter fitting on the basis of chemostat, steady-state experimental conditions. In this way, protein estimation can…
A pattern recognition approach for peak prediction of electrical consumption
2016
Predicting and mitigating demand peaks in electrical networks has become a prevalent research topic. Demand peaks pose a particular challenge to energy companies because these are difficult to foresee and require the net to support abnormally high consumption levels. In smart energy grids, time-differentiated pricing policies that increase the energy cost for the consumers during peak periods, and load balancing are examples of simple techniques for peak regulation. In this paper, we tackle the task of predicting power peaks prior to their actual occurrence in the context of a pilot Norwegian smart grid network.
A network model for the short-term prediction of the evolution of cocaine consumption in Spain
2010
Cocaine consumption is a social problem with acute consequences and its dependency can be regarded as a health concern of social transmission. This fact leads us to develop the idea that its transmission dynamics can be studied using epidemiological mathematical models. Under this point of view, in this paper we propose a network model to study the short-term evolution of the cocaine consumer subpopulations. The model parameters are obtained from data source and from an analogue continuous model. Sensitivity of the model parameters is studied. The parameters are associated with prevention and treatment policies and the sensitivity study gives us information about which parameters have more …
Perceived-Value-driven Optimization of Energy Consumption in Smart Homes
2020
Residential energy consumption has been rising rapidly during the last few decades. Several research efforts have been made to reduce residential energy consumption, including demand response and smart residential environments. However, recent research has shown that these approaches may actually cause an increase in the overall consumption, due to the complex psychological processes that occur when human users interact with these energy management systems. In this article, using an interdisciplinary approach, we introduce a perceived-value driven framework for energy management in smart residential environments that considers how users perceive values of different appliances and how the us…
Alcohol consumption in Spain and its economic cost: A mathematical modeling approach
2010
In this paper, a mathematical model for alcohol consumption in Spanish population is proposed. Its parameters are estimated by fitting the model to real data from Spanish Ministry of Health. Predictions about the future behavior of the alcohol consumption in Spain are presented using this model. Results are applied to estimate the economic costs (sanitary and non-sanitary) assumed by Spanish society that are derived from this consumption.