Computational Knowledge Discovery for Bioinformatics Research, Xiao-Li Li, See-Kiong Ng

Автор: Bernard Testa
Название: Pharmacokinetic Optimization in Drug Research: Biological, Physicochemical, and Computational Strategies
ISBN: 3906390225 ISBN-13(EAN): 9783906390222
Издательство: Wiley
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Цена: 153120.00 T
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Описание: In this age of combinatorial chemistry and high-throughput technologies, bioactive compounds called hits are discovered by the thousands. However, the road that leads from hits to lead compounds and then to pharmacokinetically optimized clinical and drug candidates is very long indeed. As a result, the screening, design, and optimization of pharmacokinetic properties has become the bottleneck and a major challenge in drug research. To shorten the time-consuming develop-ment and high rate of attrition of active compounds ultimately doomed by hidden pharmacokinetic defects, drug researchers are coming to incorporate structure-permeation, structure-distribution, structure-metabolism, and structure-toxicity relations into drug-design strategies. To this end, powerful biological, physicochemical, and computational approaches are being developed whose objectives are to increase the clinical relevance of drug design, and to eliminate as soon as possible compounds with unfavorable physicochemical properties and pharmacokinetic profiles. Toxicological issues are also of utmost importance in this paradigm. There was, hence, an urgent need for a book covering this field in an authoritative, didactic, comprehensive, factual, and conceptual manner. In this work of unique breadth and depth, international authorities and practicing experts from academia and industry present the most modern biological, physicochemical, and computational strategies to optimize gastrointestinal absorption, protein binding and distribution, brain permeation, and metabolic profile. The biological strategies emphasized in the book include cell cultures and high-throughput screens. The physicochemical strategies focus on the determination and interpretation of solubility, lipophilicity, and related molecular properties as factors and predictors of pharmacokinetic bahavior. Particular attention is paid to the lipophilicity profiles of ionized compounds, to lipophicity measurements in anisotropic media (liposomes/water, IAM columns), and to permeability across artificial membranes. Computational strategies comprise virtual screening, molecular modelling, lipophilicity, and H-bonding fields and their importance for structure-disposition relations. This book is both about theoretical and technological breakthroughs. Thus, molecular properties are contemplated from a dual perspective, namely a) their interpretation in biological and/or physicochemical terms, and b) their value in screening, lead optimization, and drug-candidate selection. In addition to its 33 chapters, the book includes a CD-ROM containing the invited lectures, oral communications and posters (in full version) presented at the Second LogP Symposium, 'Lipophilicity in Drug Disposition -- Practical and Computational Approaches to Molecular Properties Related to Drug Permeation, Disposition and Metabolism', held at the University of Lausanne in March 2000.

Автор: Loging
Название: Bioinformatics and Computational Biology in Drug Discovery and Development
ISBN: 0521768004 ISBN-13(EAN): 9780521768009
Издательство: Cambridge Academ
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Цена: 61240.00 T
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Описание: Providing a comprehensive overview of the drug discovery and development pipeline, this book focuses on the integral role that computational biology methods play in this process. Covering technological advances and their relation to drug developmental processes, readers are exposed to new methods of discovery utilising the available technology.

Автор: Loging William T.
Название: Bioinformatics and Computational Biology in Drug Discovery a
ISBN: 1108461158 ISBN-13(EAN): 9781108461153
Издательство: Cambridge Academ
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Цена: 38010.00 T
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Описание: Providing a comprehensive overview of the drug discovery and development pipeline, this book focuses on the integral role that computational biology methods play in this process. Covering technological advances and their relation to drug developmental processes, readers are exposed to new methods of discovery utilising the available technology.

Автор: Tsai Jeffrey J P & Ng Ka-Lok
Название: Computational Methods With Applications In Bioinformatics Analysis
ISBN: 9813207973 ISBN-13(EAN): 9789813207974
Издательство: World Scientific Publishing
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Цена: 90810.00 T
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Описание:

This compendium contains 10 chapters written by world renowned researchers with expertise in semantic computing, genome sequence analysis, biomolecular interaction, time-series microarray analysis, and machine learning algorithms.

The salient feature of this book is that it highlights eight types of computational techniques to tackle different biomedical applications. These techniques include unsupervised learning algorithms, principal component analysis, fuzzy integral, graph-based ensemble clustering method, semantic analysis, interolog approach, molecular simulations and enzyme kinetics.

The unique volume will be a useful reference material and an inspirational read for advanced undergraduate and graduate students, computer scientists, computational biologists, bioinformatics and biomedical professionals.

Автор: Florentino Fdez-Riverola; Mohd Saberi Mohamad; Mig
Название: 11th International Conference on Practical Applications of Computational Biology & Bioinformatics
ISBN: 3319608150 ISBN-13(EAN): 9783319608150
Издательство: Springer
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Цена: 186330.00 T
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Описание: In this context, the interaction of researchers from different scientific fields is, more than ever, of foremost importance in boosting the research efforts in the field and contributing to the education of a new generation of Bioinformatics scientists.

Автор: Dariusz Mrozek
Название: High-Performance Computational Solutions in Protein Bioinformatics
ISBN: 3319069705 ISBN-13(EAN): 9783319069708
Издательство: Springer
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Цена: 46570.00 T
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Описание: This work focuses on proteins and their structures, protein structure similarity searching at main representation levels and various techniques that can be used to accelerate similarity searches.

Автор: Liwo Adam
Название: Computational Methods to Study the Structure and Dynamics of Biomolecules and Biomolecular Processes: From Bioinformatics to Molecular Quantum Mechani
ISBN: 3319958429 ISBN-13(EAN): 9783319958422
Издательство: Springer
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Цена: 232910.00 T
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Описание: This book provides a comprehensive overview of modern computer-based techniques for analyzing the structure, properties and dynamics of biomolecules and biomolecular processes. It is organized in four main parts; the first one deals with methodology of molecular simulations; the second one with applications of molecular simulations; the third one introduces bioinformatics methods and the use of experimental information in molecular simulations; the last part reports on selected applications of molecular quantum mechanics. This second edition has been thoroughly revised and updated to include the latest progresses made in the respective field of research.

Автор: Dan Gusfield
Название: Integer Linear Programming in Computational and Systems Biology: An Entry-Level Text and Course
ISBN: 1108421768 ISBN-13(EAN): 9781108421768
Издательство: Cambridge Academ
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Цена: 60190.00 T
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Описание: Integer linear programming is a versatile modeling and optimization technique with potential to transform biological computation. This hands-on text, designed for students, researchers, and professionals in both biology and computational fields, demonstrates applications in genomics, RNA and protein folding, DNA sequencing, phylogenetics, and more.

Автор: Alberto Apostolico; Concettina Guerra; Sorin Istra
Название: Research in Computational Molecular Biology
ISBN: 3540332952 ISBN-13(EAN): 9783540332954
Издательство: Springer
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Цена: 97820.00 T
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Описание: Constitutes the refereed proceedings of the 10th Annual International Conference on Research in Computational Molecular Biology, RECOMB 2006, held in Venice, Italy in April 2006. This book reviews and selects 40 papers presented together with abstracts of 7 keynote talks from 212 submissions.

Автор: S?ndor Suhai
Название: Computational Methods in Genome Research
ISBN: 1461360420 ISBN-13(EAN): 9781461360421
Издательство: Springer
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Цена: 104480.00 T
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Описание: The application of computational methods to solve scientific and pratical problems in genome research created a new interdisciplinary area that transcends boundaries traditionally separating genetics, biology, mathematics, physics, and computer science.

Автор: Rune Matthiesen
Название: Bioinformatics Methods in Clinical Research
ISBN: 1617796700 ISBN-13(EAN): 9781617796708
Издательство: Springer
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Цена: 135090.00 T
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Описание: Covering the latest developments in clinical omics, this volume details the algorithms currently used in publicly available software tools. It looks at statistics, algorithms, automated data retrieval, and experimental consideration in the various omics areas.

Автор: Martin Vingron; Limsoon Wong
Название: Research in Computational Molecular Biology
ISBN: 3540788387 ISBN-13(EAN): 9783540788386
Издательство: Springer
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Цена: 83850.00 T
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Описание: Constitutes the refereed proceedings of the 12th Annual International Conference on Research in Computational Molecular Biology, RECOMB 2008, held in Singapore, in March/April 2008.