Computational Methods for Estimating the Kinetic Parameters of Biological Systems PDF Download
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Author: Quentin Vanhaelen
Publisher: Humana
ISBN: 9781071617694
Category : Science
Languages : en
Pages : 0
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Book Description
This detailed book provides an overview of various classes of computational techniques, including machine learning techniques, commonly used for evaluating kinetic parameters of biological systems. Focusing on three distinct situations, the volume covers the prediction of the kinetics of enzymatic reactions, the prediction of the kinetics of protein-protein or protein-ligand interactions (binding rates, dissociation rates, binding affinities), and the prediction of relatively large set of kinetic rates of reactions usually found in quantitative models of large biological networks. Written for the highly successful Methods in Molecular Biology series, chapters include the kind of expert implementation advice that leads to successful results. Authoritative and practical, Computational Methods for Estimating the Kinetic Parameters of Biological Systems will be of great interest for researchers working through the challenge of identifying the best type of algorithm and who would like to use or develop a computational method for the estimation of kinetic parameters.
Author: Quentin Vanhaelen
Publisher: Humana
ISBN: 9781071617694
Category : Science
Languages : en
Pages : 0
Get Book Here
Book Description
This detailed book provides an overview of various classes of computational techniques, including machine learning techniques, commonly used for evaluating kinetic parameters of biological systems. Focusing on three distinct situations, the volume covers the prediction of the kinetics of enzymatic reactions, the prediction of the kinetics of protein-protein or protein-ligand interactions (binding rates, dissociation rates, binding affinities), and the prediction of relatively large set of kinetic rates of reactions usually found in quantitative models of large biological networks. Written for the highly successful Methods in Molecular Biology series, chapters include the kind of expert implementation advice that leads to successful results. Authoritative and practical, Computational Methods for Estimating the Kinetic Parameters of Biological Systems will be of great interest for researchers working through the challenge of identifying the best type of algorithm and who would like to use or develop a computational method for the estimation of kinetic parameters.
Author: Marco Pellegrini
Publisher: Frontiers Media SA
ISBN: 288963650X
Category :
Languages : en
Pages : 270
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Book Description
Network science has accelerated a deep and successful trend in research that influences a range of disciplines like mathematics, graph theory, physics, statistics, data science and computer science (just to name a few) and adapts the relevant techniques and insights to address relevant but disparate social, biological, technological questions. We are now in an era of 'big biological data' supported by cost-effective high-throughput genomic, transcriptomic, proteomic, metabolomic data collection techniques that allow one to take snapshots of the cells' molecular profiles in a systematic fashion. Moreover recently, also phenotypic data, data on diseases, symptoms, patients, etc. are being collected at nation-wide level thus giving us another source of highly related (causal) 'big data'. This wealth of data is usually modeled as networks (aka binary relations, graphs or webs) of interactions, (including protein-protein, metabolic, signaling and transcription-regulatory interactions). The network model is a key view point leading to the uncovering of mesoscale phenomena, thus providing an essential bridge between the observable phenotypes and 'omics' underlying mechanisms. Moreover, network analysis is a powerful 'hypothesis generation' tool guiding the scientific cycle of 'data gathering', 'data interpretation, 'hypothesis generation' and 'hypothesis testing'. A major challenge in contemporary research is the synthesis of deep insights coming from network science with the wealth of data (often noisy, contradictory, incomplete and difficult to replicate) so to answer meaningful biological questions, in a quantifiable way using static and dynamic properties of biological networks.
Author: Michael Stumpf
Publisher: John Wiley & Sons
ISBN: 1119952042
Category : Science
Languages : en
Pages : 624
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Book Description
Systems Biology is now entering a mature phase in which the key issues are characterising uncertainty and stochastic effects in mathematical models of biological systems. The area is moving towards a full statistical analysis and probabilistic reasoning over the inferences that can be made from mathematical models. This handbook presents a comprehensive guide to the discipline for practitioners and educators, in providing a full and detailed treatment of these important and emerging subjects. Leading experts in systems biology and statistics have come together to provide insight in to the major ideas in the field, and in particular methods of specifying and fitting models, and estimating the unknown parameters. This book: Provides a comprehensive account of inference techniques in systems biology. Introduces classical and Bayesian statistical methods for complex systems. Explores networks and graphical modeling as well as a wide range of statistical models for dynamical systems. Discusses various applications for statistical systems biology, such as gene regulation and signal transduction. Features statistical data analysis on numerous technologies, including metabolic and transcriptomic technologies. Presents an in-depth presentation of reverse engineering approaches. Provides colour illustrations to explain key concepts. This handbook will be a key resource for researchers practising systems biology, and those requiring a comprehensive overview of this important field.
Author: Hans Georg Bock
Publisher: Springer Science & Business Media
ISBN: 3642303676
Category : Mathematics
Languages : en
Pages : 342
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Book Description
This judicious selection of articles combines mathematical and numerical methods to apply parameter estimation and optimum experimental design in a range of contexts. These include fields as diverse as biology, medicine, chemistry, environmental physics, image processing and computer vision. The material chosen was presented at a multidisciplinary workshop on parameter estimation held in 2009 in Heidelberg. The contributions show how indispensable efficient methods of applied mathematics and computer-based modeling can be to enhancing the quality of interdisciplinary research. The use of scientific computing to model, simulate, and optimize complex processes has become a standard methodology in many scientific fields, as well as in industry. Demonstrating that the use of state-of-the-art optimization techniques in a number of research areas has much potential for improvement, this book provides advanced numerical methods and the very latest results for the applications under consideration.
Author: Pedro Mendes
Publisher: Springer
ISBN: 3319129821
Category : Computers
Languages : en
Pages : 279
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Book Description
This book constitutes the proceedings of the 12th International Conference on Computational Methods in Systems Biology, CMSB 2014, held in Manchester, UK, in November 2014. The 16 regular papers presented together with 6 poster papers were carefully reviewed and selected from 31 regular and 18 poster submissions. The papers are organized in topical sections on formalisms for modeling biological processes, model inference from experimental data, frameworks for model verification, validation, and analysis of biological systems, models and their biological applications, computational approaches for synthetic biology, and flash posters.
Author: Paola Lecca
Publisher: Springer Nature
ISBN: 3030412555
Category : Medical
Languages : en
Pages : 90
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Book Description
This richly illustrated book presents the objectives of, and the latest techniques for, the identifiability analysis and standard and robust regression analysis of complex dynamical models. The book first provides a definition of complexity in dynamic systems by introducing readers to the concepts of system size, density of interactions, stiff dynamics, and hybrid nature of determination. In turn, it presents the mathematical foundations of and algorithmic procedures for model structural and practical identifiability analysis, multilinear and non-linear regression analysis, and best predictor selection. Although the main fields of application discussed in the book are biochemistry and systems biology, the methodologies described can also be employed in other disciplines such as physics and the environmental sciences. Readers will learn how to deal with problems such as determining the identifiability conditions, searching for an identifiable model, and conducting their own regression analysis and diagnostics without supervision. Featuring a wealth of real-world examples, exercises, and codes in R, the book addresses the needs of doctoral students and researchers in bioinformatics, bioengineering, systems biology, biophysics, biochemistry, the environmental sciences and experimental physics. Readers should be familiar with the fundamentals of probability and statistics (as provided in first-year university courses) and a basic grasp of R.
Author: Klaus Schittkowski
Publisher: Springer Science & Business Media
ISBN: 9781402010798
Category : Computers
Languages : en
Pages : 416
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Book Description
Real life phenomena in engineering, natural, or medical sciences are often described by a mathematical model with the goal to analyze numerically the behaviour of the system. Advantages of mathematical models are their cheap availability, the possibility of studying extreme situations that cannot be handled by experiments, or of simulating real systems during the design phase before constructing a first prototype. Moreover, they serve to verify decisions, to avoid expensive and time consuming experimental tests, to analyze, understand, and explain the behaviour of systems, or to optimize design and production. As soon as a mathematical model contains differential dependencies from an additional parameter, typically the time, we call it a dynamical model. There are two key questions always arising in a practical environment: 1 Is the mathematical model correct? 2 How can I quantify model parameters that cannot be measured directly? In principle, both questions are easily answered as soon as some experimental data are available. The idea is to compare measured data with predicted model function values and to minimize the differences over the whole parameter space. We have to reject a model if we are unable to find a reasonably accurate fit. To summarize, parameter estimation or data fitting, respectively, is extremely important in all practical situations, where a mathematical model and corresponding experimental data are available to describe the behaviour of a dynamical system.
Author: Pablo A. Iglesias
Publisher: MIT Press
ISBN: 0262013347
Category : Biological control systems
Languages : en
Pages : 359
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Book Description
A survey of how engineering techniques from control and systems theory can be used to help biologists understand the behavior of cellular systems.
Author: Andrei Kramer
Publisher: Logos Verlag Berlin GmbH
ISBN: 3832541950
Category : Computers
Languages : en
Pages : 164
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Book Description
Markov Chain Monte Carlo (MCMC) methods are sampling based techniques, which use random numbers to approximate deterministic but unknown values. They can be used to obtain expected values, estimate parameters or to simply inspect the properties of a non-standard, high dimensional probability distribution. Bayesian analysis of model parameters provides the mathematical foundation for parameter estimation using such probabilistic sampling. The strengths of these stochastic methods are their robustness and relative simplicity even for nonlinear problems with dozens of parameters as well as a built-in uncertainty analysis. Because Bayesian model analysis necessarily involves the notion of prior knowledge, the estimation of unidentifiable parameters can be regularised (by priors) in a straight forward way. This work draws the focus on typical cases in systems biology: relative data, nonlinear ordinary differential equation models and few data points. It also investigates the consequences of parameter estimation from steady state data; consequences such as performance benefits. In biology the data is almost exclusively relative, the raw measurements (e.g. western blot intensities) are normalised by control experiments or a reference value within a series and require the model to do the same when comparing its output to the data. Several sampling algorithms are compared in terms of effective sampling speed and necessary adaptations to relative and steady state data are explained.
Author: Xavier J.R. Avula
Publisher: Elsevier
ISBN: 1483190595
Category : Mathematics
Languages : en
Pages : 1023
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Book Description
Mathematical Modelling in Science and Technology: The Fourth International Conference covers the proceedings of the Fourth International Conference by the same title, held at the Swiss Federal Institute of Technology, Zurich, Switzerland on August 15-17, 1983. Mathematical modeling is a powerful tool to solve many complex problems presented by scientific and technological developments. This book is organized into 20 parts encompassing 180 chapters. The first parts present the basic principles, methodology, systems theory, parameter estimation, system identification, and optimization of mathematical modeling. The succeeding parts discuss the features of stochastic and numerical modeling and simulation languages. Considerable parts deal with the application areas of mathematical modeling, such as in chemical engineering, solid and fluid mechanics, water resources, medicine, economics, transportation, and industry. The last parts tackle the application of mathematical modeling in student management and other academic cases. This book will prove useful to researchers in various science and technology fields.
