Protein Actions: Principles and Modeling

Protein Actions: Principles and Modeling
Author: Ivet Bahar
Publisher: Garland Science
Total Pages: 337
Release: 2017-02-14
Genre: Science
ISBN: 1351815016

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Protein Actions: Principles and Modeling is aimed at graduates, advanced undergraduates, and any professional who seeks an introduction to the biological, chemical, and physical properties of proteins. Broadly accessible to biophysicists and biochemists, it will be particularly useful to student and professional structural biologists and molecular biophysicists, bioinformaticians and computational biologists, biological chemists (particularly drug designers) and molecular bioengineers. The book begins by introducing the basic principles of protein structure and function. Some readers will be familiar with aspects of this, but the authors build up a more quantitative approach than their competitors. Emphasizing concepts and theory rather than experimental techniques, the book shows how proteins can be analyzed using the disciplines of elementary statistical mechanics, energetics, and kinetics. These chapters illuminate how proteins attain biologically active states and the properties of those states. The book ends with a synopsis the roles of computational biology and bioinformatics in protein science.

Protein Structure and Modeling

Protein Structure and Modeling
Author: Natalya Kurochkina
Publisher: Springer
Total Pages: 276
Release: 2019-06-04
Genre: Science
ISBN: 9811366012

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This book will consider principles of the organization of protein molecules, the relationships between primary, secondary, and tertiary structure, the determinants of protein conformation, and the applications of structure determination and structure modeling in biomedical research.

Multiscale Approaches to Protein Modeling

Multiscale Approaches to Protein Modeling
Author: Andrzej Kolinski
Publisher: Springer Science & Business Media
Total Pages: 360
Release: 2010-10-13
Genre: Science
ISBN: 144196889X

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The book gives a comprehensive review of the most advanced multiscale methods for protein structure prediction, computational studies of protein dynamics, folding mechanisms and macromolecular interactions. It approaches span a wide range of the levels of coarse-grained representations, various sampling techniques and variety of applications to biomedical and biophysical problems. This book is intended to be used as a reference book for those who are just beginning their adventure with biomacromolecular modeling but also as a valuable source of detailed information for those who are already experts in the field of biomacromolecular modeling and in related areas of computational biology or biophysics.

Encyclopedia of Bioinformatics and Computational Biology

Encyclopedia of Bioinformatics and Computational Biology
Author:
Publisher: Elsevier
Total Pages: 3421
Release: 2018-08-21
Genre: Medical
ISBN: 0128114320

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Encyclopedia of Bioinformatics and Computational Biology: ABC of Bioinformatics, Three Volume Set combines elements of computer science, information technology, mathematics, statistics and biotechnology, providing the methodology and in silico solutions to mine biological data and processes. The book covers Theory, Topics and Applications, with a special focus on Integrative –omics and Systems Biology. The theoretical, methodological underpinnings of BCB, including phylogeny are covered, as are more current areas of focus, such as translational bioinformatics, cheminformatics, and environmental informatics. Finally, Applications provide guidance for commonly asked questions. This major reference work spans basic and cutting-edge methodologies authored by leaders in the field, providing an invaluable resource for students, scientists, professionals in research institutes, and a broad swath of researchers in biotechnology and the biomedical and pharmaceutical industries. Brings together information from computer science, information technology, mathematics, statistics and biotechnology Written and reviewed by leading experts in the field, providing a unique and authoritative resource Focuses on the main theoretical and methodological concepts before expanding on specific topics and applications Includes interactive images, multimedia tools and crosslinking to further resources and databases

Structural Biology in Drug Discovery

Structural Biology in Drug Discovery
Author: Jean-Paul Renaud
Publisher: John Wiley & Sons
Total Pages: 706
Release: 2020-02-05
Genre: Medical
ISBN: 1118681010

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With the most comprehensive and up-to-date overview of structure-based drug discovery covering both experimental and computational approaches, Structural Biology in Drug Discovery: Methods, Techniques, and Practices describes principles, methods, applications, and emerging paradigms of structural biology as a tool for more efficient drug development. Coverage includes successful examples, academic and industry insights, novel concepts, and advances in a rapidly evolving field. The combined chapters, by authors writing from the frontlines of structural biology and drug discovery, give readers a valuable reference and resource that: Presents the benefits, limitations, and potentiality of major techniques in the field such as X-ray crystallography, NMR, neutron crystallography, cryo-EM, mass spectrometry and other biophysical techniques, and computational structural biology Includes detailed chapters on druggability, allostery, complementary use of thermodynamic and kinetic information, and powerful approaches such as structural chemogenomics and fragment-based drug design Emphasizes the need for the in-depth biophysical characterization of protein targets as well as of therapeutic proteins, and for a thorough quality assessment of experimental structures Illustrates advances in the field of established therapeutic targets like kinases, serine proteinases, GPCRs, and epigenetic proteins, and of more challenging ones like protein-protein interactions and intrinsically disordered proteins

Advances in Knowledge Discovery and Data Mining

Advances in Knowledge Discovery and Data Mining
Author: João Gama
Publisher: Springer Nature
Total Pages: 396
Release: 2022-05-09
Genre: Computers
ISBN: 3031059816

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The 3-volume set LNAI 13280, LNAI 13281 and LNAI 13282 constitutes the proceedings of the 26th Pacific-Asia Conference on Advances in Knowledge Discovery and Data Mining, PAKDD 2022, which was held during May 2022 in Chengdu, China. The 121 papers included in the proceedings were carefully reviewed and selected from a total of 558 submissions. They were organized in topical sections as follows: Part I: Data Science and Big Data Technologies, Part II: Foundations; and Part III: Applications.

Molecular Modeling of Proteins

Molecular Modeling of Proteins
Author: Andreas Kukol
Publisher: Humana Press
Total Pages: 474
Release: 2017-04-30
Genre: Science
ISBN: 9781493954919

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Molecular Modeling of Proteins, Second Edition provides a theoretical background of various methods available and enables non-specialists to apply methods to their problems by including updated chapters and new material not covered in the first edition. This detailed volume opens by featuring classical and advanced simulation methods as well as methods to set-up complex systems such as lipid membranes and membrane proteins and continues with chapters devoted to the simulation and analysis of conformational changes of proteins, computational methods for protein structure prediction, usage of experimental data in combination with computational techniques, as well as protein-ligand interactions, which are relevant in the drug design process. Written for the highly successful Methods in Molecular Biology series, chapters include thorough introductions, step-by-step instructions and notes on troubleshooting and avoiding common pitfalls. Update-to-date and authoritative, Molecular Modeling of Proteins, Second Edition aims to aid researchers in the physical, chemical and biosciences interested in utilizing this powerful technology.

Biological Water

Biological Water
Author: Gertz I. Likhtenshtein
Publisher: Springer Nature
Total Pages: 523
Release: 2021-10-21
Genre: Science
ISBN: 3030825035

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This book embraces all physiochemical aspects of the structure and molecular dynamics of water, focusing on its role in biological objects, e.g. living cells and tissue, and in the formation of functionally active structures of biological molecules and their ensembles. Water is the single most abundant chemical found in all living things. It offers a detailed look into the latest modern physical methods for studying the molecular structure and dynamics of the water and provides a critical analysis of the existing literature data on the properties of water in biological objects. Water as a chemical reagent and as a medium for the formation of conditions for enzymatic catalysis is a core focus of this book. Although well suited for active researchers, the book as a whole, as well as each chapter on its own, can be used as fundamental reference material for graduate and undergraduate students throughout chemistry, physics, biophysics and biomedicine.

IRC-SET 2018

IRC-SET 2018
Author: Huaqun Guo
Publisher: Springer Nature
Total Pages: 427
Release: 2019-10-31
Genre: Medical
ISBN: 9813298286

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This book highlights cutting-edge research in multidisciplinary areas of Engineering, Physics, Medicine and Healthcare presented at the 4th IRC Conference on Science, Engineering and Technology (IRC-SET 2018), which was held at the Agency for Science Technology and Research (A*STAR), Singapore. The book also contains excerpts of the speeches made by eminent personalities who attended the occasion, thereby providing a written documentation of the event.

Protein Folding in Silico

Protein Folding in Silico
Author: Irena Roterman-Konieczna
Publisher: Elsevier
Total Pages: 241
Release: 2012-10-04
Genre: Science
ISBN: 1908818255

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Protein folding is a process by which a protein structure assumes its functional shape of conformation, and has been the subject of research since the publication of the first software tool for protein structure prediction. Protein folding in silico approaches this issue by introducing an ab initio model that attempts to simulate as far as possible the folding process as it takes place in vivo, and attempts to construct a mechanistic model on the basis of the predictions made. The opening chapters discuss the early stage intermediate and late stage intermediate models, followed by a discussion of structural information that affects the interpretation of the folding process. The second half of the book covers a variety of topics including ligand binding site recognition, the "fuzzy oil drop" model and its use in simulation of the polypeptide chain, and misfolded proteins. The book ends with an overview of a number of other ab initio methods for protein structure predictions and some concluding remarks. Discusses a range of ab initio models for protein structure prediction Introduces a unique model based on experimental observations Describes various methods for the quantitative assessment of the presented models from the viewpoint of information theory