Computational Methods for Estimating the Kinetic Parameters of Biological Systems

Computational Methods for Estimating the Kinetic Parameters of Biological Systems PDF

Author: Quentin Vanhaelen

Publisher:

Published: 2022

Total Pages: 379

ISBN-13: 9781071617670

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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.

Computational Approaches in Drug Discovery, Development and Systems Pharmacology

Computational Approaches in Drug Discovery, Development and Systems Pharmacology PDF

Author: Rupesh Kumar Gautam

Publisher: Elsevier

Published: 2023-02-15

Total Pages: 364

ISBN-13: 0323993737

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Computational Approaches in Drug Discovery, Development and Systems Pharmacology provides detailed information on the use of computers in advancing pharmacology. Drug discovery and development is an expensive and time-consuming practice, and computer-assisted drug design (CADD) approaches are increasing in popularity in the pharmaceutical industry to accelerate the process. With the help of CADD, scientists can focus on the most capable compounds so that they can minimize the synthetic and biological testing pains. This book examines success stories of CADD in drug discovery, drug development and role of CADD in system pharmacology, additionally including a focus on the role of artificial intelligence (AI) and deep machine learning in pharmacology. Computational Approaches in Drug Discovery, Development and Systems Pharmacology will be useful to researchers and academics working in the area of CADD, pharmacology and Bioinformatics. Explains computer use in pharmacology using real-life case studies Provides information about biological activities using computer technology, thus allowing for the possible reduction of the number of animals used for research Describes the role of AI in pharmacology and applications of CADD in various diseases

Kinetic Modelling in Systems Biology

Kinetic Modelling in Systems Biology PDF

Author: Oleg Demin

Publisher: CRC Press

Published: 2008-10-24

Total Pages: 360

ISBN-13: 1420011669

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With more and more interest in how components of biological systems interact, it is important to understand the various aspects of systems biology. Kinetic Modelling in Systems Biology focuses on one of the main pillars in the future development of systems biology. It explores both the methods and applications of kinetic modeling in this emerging f

Computational Methods in Systems Biology

Computational Methods in Systems Biology PDF

Author: Monika Heiner

Publisher: Springer

Published: 2008-10-05

Total Pages: 413

ISBN-13: 3540885625

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This book constitutes the refereed proceedings of the 6th International Conference on Computational Methods in Systems Biology, CMSB 2008, held in Rostock, Germany, in September 2008. The 21 revised full papers presented together with the summaries of 5 invited papers were carefully reviewed and selected from more than 60 submissions. The papers cover theoretical or applied contributions that are motivated by a biological question focusing on modeling approaches, including process algebra, simulation approaches, analysis methods, in particular model checking and flux analysis, and case studies.

Computational Methods in Systems Biology

Computational Methods in Systems Biology PDF

Author: Ezio Bartocci

Publisher: Springer

Published: 2016-09-03

Total Pages: 356

ISBN-13: 3319451774

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This book constitutes the refereed proceedings of the 14th International Conference on Computational Methods in Systems Biology, CMSB 2016, held in Cambridge, UK, in September 2016. The 20 full papers, 3 tool papers and 9 posters presented were carefully reviewed and selected from 37 regular paper submissions. The topics include formalisms for modeling biological processes; models and their biological applications; frameworks for model verification, validation, analysis, and simulation of biological systems; high-performance computational systems biology and parallel implementations; model inference from experimental data; model integration from biological databases; multi-scale modeling and analysis methods; and computational approaches for synthetic biology.

Computational Methods in Systems Biology

Computational Methods in Systems Biology PDF

Author: Pedro Mendes

Publisher: Springer

Published: 2014-10-20

Total Pages: 279

ISBN-13: 3319129821

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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.

Systemic Approaches in Bioinformatics and Computational Systems Biology: Recent Advances

Systemic Approaches in Bioinformatics and Computational Systems Biology: Recent Advances PDF

Author: Lecca, Paola

Publisher: IGI Global

Published: 2011-12-31

Total Pages: 335

ISBN-13: 1613504365

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The convergence of biology and computer science was initially motivated by the need to organize and process a growing number of biological observations resulting from rapid advances in experimental techniques. Today, however, close collaboration between biologists, biochemists, medical researchers, and computer scientists has also generated remarkable benefits for the field of computer science. Systemic Approaches in Bioinformatics and Computational Systems Biology: Recent Advances presents new techniques that have resulted from the application of computer science methods to the organization and interpretation of biological data. The book covers three subject areas: bioinformatics, computational biology, and computational systems biology. It focuses on recent, systemic approaches in computer science and mathematics that have been used to model, simulate, and more generally, experiment with biological phenomena at any scale.

Numerical Methods for the Life Scientist

Numerical Methods for the Life Scientist PDF

Author: Heino Prinz

Publisher: Springer Science & Business Media

Published: 2011-08-06

Total Pages: 155

ISBN-13: 3642208207

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Enzyme kinetics, binding kinetics and pharmacological dose-response curves are currently analyzed by a few standard methods. Some of these, like Michaelis-Menten enzyme kinetics, use plausible approximations, others, like Hill equations for dose-response curves, are outdated. Calculating realistic reaction schemes requires numerical mathematical routines which usually are not covered in the curricula of life science. This textbook will give a step-by-step introduction to numerical solutions of non-linear and differential equations. It will be accompanied with a set of programs to calculate any reaction scheme on any personal computer. Typical examples from analytical biochemistry and pharmacology can be used as versatile templates. When a reaction scheme is applied for data fitting, the resulting parameters may not be unique. Correlation of parameters will be discussed and simplification strategies will be offered.

Network Bioscience, 2nd Edition

Network Bioscience, 2nd Edition PDF

Author: Marco Pellegrini

Publisher: Frontiers Media SA

Published: 2020-03-27

Total Pages: 270

ISBN-13: 288963650X

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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.

Computational Analysis of Biochemical Systems

Computational Analysis of Biochemical Systems PDF

Author: Eberhard O. Voit

Publisher: Cambridge University Press

Published: 2000-09-04

Total Pages: 556

ISBN-13: 9780521785792

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Teaches the use of modern computational methods for the analysis of biomedical systems using case studies and accompanying software.