Добірка наукової літератури з теми "Biological networks, simulation, structural analysis, dynamic analysis"

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Статті в журналах з теми "Biological networks, simulation, structural analysis, dynamic analysis"

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REMONDINI, D., N. NERETTI, C. FRANCESCHI, et al. "NETWORKS FROM GENE EXPRESSION TIME SERIES: CHARACTERIZATION OF CORRELATION PATTERNS." International Journal of Bifurcation and Chaos 17, no. 07 (2007): 2477–83. http://dx.doi.org/10.1142/s0218127407018543.

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Анотація:
We address the problem of finding large-scale functional and structural relationships between genes, given a time series of gene expression data, namely mRNA concentration values measured from genetically engineered rat fibroblasts cell lines responding to conditional cMyc proto-oncogene activation. We show how it is possible to retrieve suitable information about molecular mechanisms governing the cell response to conditional perturbations. This task is complex because typical high-throughput genomics experiments are performed with high number of probesets (103–104 genes) and a limited number
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Найденов та E. Naydenov. "Development micromachined cyber platforms to cultive endothelial сapillary networks in vitro in the space organized microflows nutrient medium". Journal of New Medical Technologies. eJournal 9, № 2 (2015): 0. http://dx.doi.org/10.12737/10746.

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This work is devoted to the development of technology and special equipment for the cultivation of spontaneously developing functioning endothelial capillary networks in vitro as the basis of artificial cloth-like structures with desired biological properties. It is the scientific and engineering projects RFBR №94-04-13544 «Structural analysis of microvascular bifurcations" and №96-04-50991 «Cell and Tissue Engineering endothelium (formation in endothelial culture in vitro the functioning self-developing capillary networks)." The proposed technology allows the author to form th
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Zhuravlev, Pavel I., and Garegin A. Papoian. "Protein functional landscapes, dynamics, allostery: a tortuous path towards a universal theoretical framework." Quarterly Reviews of Biophysics 43, no. 3 (2010): 295–332. http://dx.doi.org/10.1017/s0033583510000119.

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Анотація:
AbstractEnergy landscape theories have provided a common ground for understanding the protein folding problem, which once seemed to be overwhelmingly complicated. At the same time, the native state was found to be an ensemble of interconverting states with frustration playing a more important role compared to the folding problem. The landscape of the folded protein – the native landscape – is glassier than the folding landscape; hence, a general description analogous to the folding theories is difficult to achieve. On the other hand, the native basin phase volume is much smaller, allowing a pr
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Muhseen, Ziyad Tariq, Salim Kadhim, Yahiya Ibrahim Yahiya, Eid A. Alatawi, Faris F. Aba Alkhayl, and Ahmad Almatroudi. "Insights into the Binding of Receptor-Binding Domain (RBD) of SARS-CoV-2 Wild Type and B.1.620 Variant with hACE2 Using Molecular Docking and Simulation Approaches." Biology 10, no. 12 (2021): 1310. http://dx.doi.org/10.3390/biology10121310.

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Анотація:
Recently, a new variant, B.1620, with mutations (S477N-E484K) in the spike protein’s receptor-binding domain (RBD) has been reported in Europe. In order to design therapeutic strategies suitable for B.1.620, further studies are required. A detailed investigation of the structural features and variations caused by these substitutions, that is, a molecular level investigation, is essential to uncover the role of these changes. To determine whether and how the binding affinity of ACE2–RBD is affected, we used protein–protein docking and all-atom simulation approaches. Our analysis revealed that B
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Scaramozzino, Domenico, Giuseppe Lacidogna, Gianfranco Piana, and Alberto Carpinteri. "Numerical Evaluation of Protein Global Vibrations at Terahertz Frequencies by Means of Elastic Lattice Models." Proceedings 67, no. 1 (2020): 8. http://dx.doi.org/10.3390/asec2020-07518.

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Анотація:
Proteins represent one of the most important building blocks for most biological processes. Their biological mechanisms have been found to correlate significantly with their dynamics, which is commonly investigated through molecular dynamics (MD) simulations. However, important insights on protein dynamics and biological mechanisms have also been obtained via much simpler and computationally efficient calculations based on elastic lattice models (ELMs). The application of structural mechanics approaches, such as modal analysis, to the protein ELMs has allowed to find impressive results in term
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Li, Quan, Ray Luo, and Hai-Feng Chen. "Dynamical important residue network (DIRN): network inference via conformational change." Bioinformatics 35, no. 22 (2019): 4664–70. http://dx.doi.org/10.1093/bioinformatics/btz298.

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Abstract Motivation Protein residue interaction network has emerged as a useful strategy to understand the complex relationship between protein structures and functions and how functions are regulated. In a residue interaction network, every residue is used to define a network node, adding noises in network post-analysis and increasing computational burden. In addition, dynamical information is often necessary in deciphering biological functions. Results We developed a robust and efficient protein residue interaction network method, termed dynamical important residue network, by combining both
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Smith, Jeremy C., Pan Tan, Loukas Petridis, and Liang Hong. "Dynamic Neutron Scattering by Biological Systems." Annual Review of Biophysics 47, no. 1 (2018): 335–54. http://dx.doi.org/10.1146/annurev-biophys-070317-033358.

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Dynamic neutron scattering directly probes motions in biological systems on femtosecond to microsecond timescales. When combined with molecular dynamics simulation and normal mode analysis, detailed descriptions of the forms and frequencies of motions can be derived. We examine vibrations in proteins, the temperature dependence of protein motions, and concepts describing the rich variety of motions detectable using neutrons in biological systems at physiological temperatures. New techniques for deriving information on collective motions using coherent scattering are also reviewed.
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Haiman, Zachary B., Daniel C. Zielinski, Yuko Koike, James T. Yurkovich, and Bernhard O. Palsson. "MASSpy: Building, simulating, and visualizing dynamic biological models in Python using mass action kinetics." PLOS Computational Biology 17, no. 1 (2021): e1008208. http://dx.doi.org/10.1371/journal.pcbi.1008208.

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Анотація:
Mathematical models of metabolic networks utilize simulation to study system-level mechanisms and functions. Various approaches have been used to model the steady state behavior of metabolic networks using genome-scale reconstructions, but formulating dynamic models from such reconstructions continues to be a key challenge. Here, we present the Mass Action Stoichiometric Simulation Python (MASSpy) package, an open-source computational framework for dynamic modeling of metabolism. MASSpy utilizes mass action kinetics and detailed chemical mechanisms to build dynamic models of complex biological
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Selvaraj, Gurudeeban, Satyavani Kaliamurthi, Gilles H. Peslherbe, and Dong-Qing Wei. "Identifying potential drug targets and candidate drugs for COVID-19: biological networks and structural modeling approaches." F1000Research 10 (February 18, 2021): 127. http://dx.doi.org/10.12688/f1000research.50850.1.

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Анотація:
Background: Coronavirus (CoV) is an emerging human pathogen causing severe acute respiratory syndrome (SARS) around the world. Earlier identification of biomarkers for SARS can facilitate detection and reduce the mortality rate of the disease. Thus, by integrated network analysis and structural modeling approach, we aimed to explore the potential drug targets and the candidate drugs for coronavirus medicated SARS. Methods: Differentially expression (DE) analysis of CoV infected host genes (HGs) expression profiles was conducted by using the Limma. Highly integrated DE-CoV-HGs were selected to
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Selvaraj, Gurudeeban, Satyavani Kaliamurthi, Gilles H. Peslherbe, and Dong-Qing Wei. "Identifying potential drug targets and candidate drugs for COVID-19: biological networks and structural modeling approaches." F1000Research 10 (April 6, 2021): 127. http://dx.doi.org/10.12688/f1000research.50850.2.

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Анотація:
Background: Coronavirus (CoV) is an emerging human pathogen causing severe acute respiratory syndrome (SARS) around the world. Earlier identification of biomarkers for SARS can facilitate detection and reduce the mortality rate of the disease. Thus, by integrated network analysis and structural modeling approach, we aimed to explore the potential drug targets and the candidate drugs for coronavirus medicated SARS. Methods: Differentially expression (DE) analysis of CoV infected host genes (HGs) expression profiles was conducted by using the Limma. Highly integrated DE-CoV-HGs were selected to
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Дисертації з теми "Biological networks, simulation, structural analysis, dynamic analysis"

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Caligola, Simone. "Computational Techniques for the Structural and Dynamic Analysis of Biological Networks." Doctoral thesis, 2020. http://hdl.handle.net/11562/1016035.

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Анотація:
The analysis of biological systems involves the study of networks from different omics such as genomics, transcriptomics, metabolomics and proteomics. In general, the computational techniques used in the analysis of biological networks can be divided into those that perform (i) structural analysis, (ii) dynamic analysis of structural prop- erties and (iii) dynamic simulation. Structural analysis is related to the study of the topology or stoichiometry of the biological network such as important nodes of the net- work, network motifs and the analysis of the flux distribution within the network.
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Garaga, Arunakumari. "Factors Affecting The Static And Dynamic Response Of Jointed Rock Masses." Thesis, 2008. http://hdl.handle.net/2005/772.

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Анотація:
Infrastructure is developing at an extremely fast pace which includes construction of metros, underground storage places, railway bridges, caverns and tunnels. Very often these structures are found in or on the rock masses. Rock masses are seldom found in nature without joints or discontinuities. Jointed rocks are characterized by the presence of inherent discontinuities of varied sizes with different orientations and intensities, which can have significant effect on their mechanical response. Constructions involving jointed rocks often become challenging jobs for Civil Engineers as the instab
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Книги з теми "Biological networks, simulation, structural analysis, dynamic analysis"

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Zaheer Ul-Haq and Angela K. Wilson, eds. Frontiers in Computational Chemistry: Volume 6. BENTHAM SCIENCE PUBLISHERS, 2022. http://dx.doi.org/10.2174/97898150368481220601.

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Анотація:
Frontiers in Computational Chemistry presents contemporary research on molecular modeling techniques used in drug discovery and the drug development process: computer aided molecular design, drug discovery and development, lead generation, lead optimization, database management, computer and molecular graphics, and the development of new computational methods or efficient algorithms for the simulation of chemical phenomena including analyses of biological activity. The sixth volume of this series features these six different perspectives on the application of computational chemistry in rationa
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Частини книг з теми "Biological networks, simulation, structural analysis, dynamic analysis"

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Kuzniar, Krystyna, and Zenon Waszczyszyn. "Neural Networks for the Simulation and Identification Analysis of Buildings Subjected to Paraseismic Excitations." In Intelligent Computational Paradigms in Earthquake Engineering. IGI Global, 2007. http://dx.doi.org/10.4018/978-1-59904-099-8.ch016.

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Анотація:
The chapter deals with an application of neural networks to the analysis of vibrations of medium-height prefabricated buildings with load-bearing walls subjected to paraseismic excitations. Neural network technique was used for identification of dynamic properties of actual buildings, simulation of building responses to paraseismic excitations as well as for the analysis of response spectra. Mining tremors in strip mines and in the most seismically active mining regions in Poland with underground exploitation were the sources of these vibrations. On the basis of the experimental data obtained from the measurements of kinematic excitations and dynamic building responses of actual structures the training and testing patterns were formulated. It was stated that the application of neural networks enables us to predict the results with accuracy quite satisfactory for engineering practice. The results presented in this chapter lead to a conclusion that the neural technique gives new prospects of efficient analysis of structural dynamics problems related to paraseismic excitations.
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Dematties, Dario, George K. Thiruvathukal, Silvio Rizzi, Alejandro Wainselboim, and B. Silvano Zanutto. "Towards High-End Scalability on Biologically-Inspired Computational Models." In Parallel Computing: Technology Trends. IOS Press, 2020. http://dx.doi.org/10.3233/apc200077.

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Анотація:
The interdisciplinary field of neuroscience has made significant progress in recent decades, providing the scientific community in general with a new level of understanding on how the brain works beyond the store-and-fire model found in traditional neural networks. Meanwhile, Machine Learning (ML) based on established models has seen a surge of interest in the High Performance Computing (HPC) community, especially through the use of high-end accelerators, such as Graphical Processing Units(GPUs), including HPC clusters of same. In our work, we are motivated to exploit these high-performance computing developments and understand the scaling challenges for new–biologically inspired–learning models on leadership-class HPC resources. These emerging models feature sparse and random connectivity profiles that map to more loosely-coupled parallel architectures with a large number of CPU cores per node. Contrasted with traditional ML codes, these methods exploit loosely-coupled sparse data structures as opposed to tightly-coupled dense matrix computations, which benefit from SIMD-style parallelism found on GPUs. In this paper we introduce a hybrid Message Passing Interface (MPI) and Open Multi-Processing (OpenMP) parallelization scheme to accelerate and scale our computational model based on the dynamics of cortical tissue. We ran computational tests on a leadership class visualization and analysis cluster at Argonne National Laboratory. We include a study of strong and weak scaling, where we obtained parallel efficiency measures with a minimum above 87% and a maximum above 97% for simulations of our biologically inspired neural network on up to 64 computing nodes running 8 threads each. This study shows promise of the MPI+OpenMP hybrid approach to support flexible and biologically-inspired computational experimental scenarios. In addition, we present the viability in the application of these strategies in high-end leadership computers in the future.
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Тези доповідей конференцій з теми "Biological networks, simulation, structural analysis, dynamic analysis"

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Royston, Thomas. "Leveraging the Equivalence of Hysteresis Models From Different Fields for Analysis and Numerical Simulation of Jointed Structures." In ASME 2007 International Design Engineering Technical Conferences and Computers and Information in Engineering Conference. ASMEDC, 2007. http://dx.doi.org/10.1115/detc2007-34212.

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Анотація:
An important problem that spans across many types of systems (e.g. mechanical and biological) is how to model the dynamics of joints or interfaces in built-up structures in such a way that the complex dynamic and energy dissipative behavior that depends on micro-scale phenomena at the joint/interface is accurately captured, yet in a framework that is amenable to efficient computational analyses of the larger macro-scale system of which the joint or interface is a (spatially) small part. Simulating joint behavior in finite element analysis by meshing the joint regions finely enough to capture r
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Davidson, Jacob D., and N. C. Goulbourne. "Connecting Chain Chemistry and Network Topology With the Large Deformation Mechanical Response of Elastomers." In ASME 2012 International Mechanical Engineering Congress and Exposition. American Society of Mechanical Engineers, 2012. http://dx.doi.org/10.1115/imece2012-88551.

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Анотація:
Elastomers are polymers able to undergo large, reversible deformations, and their mechanical properties depend on the chemistry of individual chains as well as the topology of the crosslinked network. In this work we analyze the connection between micro-scale network structure and the macroscopic mechanical properties by performing molecular dynamics (MD) simulations using the Kremer & Grest bead-spring model. The chain length and the density at which crosslinking is performed are varied in order to produce systems ranging from crosslink-dominated to highly entangled, and stress-stretch re
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Omar, Tarek A., Nabih E. Bedewi, and Azim Eskandarian. "Recurrent Artificial Neural Networks for Crashworthiness Analysis." In ASME 1997 International Mechanical Engineering Congress and Exposition. American Society of Mechanical Engineers, 1997. http://dx.doi.org/10.1115/imece1997-1190.

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Abstract The initial velocity and structural characteristics of any vehicle are the main factors affecting the vehicle response in case of frontal Impact. Finite Element (FE) simulations are essential tools for crashworthiness analysis, however, the FE models are getting bigger which increases the simulation time and cost. An advanced recurrent Artificial Neural Network (ANN) is used to store the nonlinear dynamic characteristics of the vehicle structure. Therefore, hundreds of impact scenarios can be performed quickly with much less cost by using the trained networks. The equation of motion o
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De Pinho Alho, Alexandre Teixeira, and Douglas Papera. "The Application of a Simulation Tool for the Analysis of Offloading Operations in FPSO Units." In ASME 2004 23rd International Conference on Offshore Mechanics and Arctic Engineering. ASMEDC, 2004. http://dx.doi.org/10.1115/omae2004-51128.

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Анотація:
The cargo system of FPSO units is of particular interest due to its rigorous operational requirements. In addition to structural and static stability requirements, the offloading operation of FPSO units should satisfy rigorous requirements related to the dynamic behavior of the vessel. In this sense, the cargo offloading process of FPSO units represents a critical aspect related to its design and operation. Unfortunately, due to the great computation effort usually required to analyze complex pipe networks, it is not a common practice to perform the analysis of the cargo system functioning at
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Diesselhorst, Tilman, and Werner Schnellhammer. "Efficient Modeling of the Relevant Effects for Water Hammer Calculation." In ASME 2006 Pressure Vessels and Piping/ICPVT-11 Conference. ASMEDC, 2006. http://dx.doi.org/10.1115/pvp2006-icpvt-11-93386.

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Анотація:
The essential features for an adequate simulation of water hammer effects are incorporated in the one-dimensional fluiddynamic code ROLAST. This code was developed for the calculation of transient load cases in piping networks, including active and passive components like pumps, valves, check valves, vessels, and allowing for various boundary and initial conditions. The essential models for water hammer treatment are described like condensation, air bubble behaviour and venting, and especially their adaptation to the 1D flow formulation. Examples of validation are given. The role of dissolved
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Gonzalez, Gabriel Mattos, Marcos Queija de Siqueira, Marina Leivas Simão, Paulo Maurício Videiro, and Luis Volnei Sudati Sagrilo. "On the Use of Artificial Neural Networks for Estimating the Long-Term Mooring Lines Response Considering Wind Sea and Swell." In ASME 2020 39th International Conference on Ocean, Offshore and Arctic Engineering. American Society of Mechanical Engineers, 2020. http://dx.doi.org/10.1115/omae2020-18868.

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Анотація:
Abstract Nowadays, artificial intelligence algorithms are regaining visibility mainly due to the increase in computational capability. Among those, artificial neural networks (ANN) are very useful for the regression of highly nonlinear phenomena, such as the dynamic response of offshore structures. Due to the escalating demand in the oil and gas industry, offshore fields have been explored in deeper waters, which leads to more severe environmental conditions. A reliable and efficient evaluation of the long-term response of mooring systems, a crucial element of floating offshore structures, is
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