Download or read book Computational Tools for Chemical Biology written by Sonsoles Martín-Santamaría and published by Royal Society of Chemistry. This book was released on 2017-11-01 with total page 392 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book offers a fresh perspective on how computational tools can aid the chemical biology research community and drive new research.
Download or read book Biophysical and Computational Tools in Drug Discovery written by Anil Kumar Saxena and published by Springer Nature. This book was released on 2021-10-18 with total page 405 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book reviews recent physicochemical and biophysical techniques applied in drug discovery research, and it outlines the latest advances in computational drug design. Divided into 10 chapters, the book discusses about the role of structural biology in drug discovery, and offers useful application cases of several biophysical and computational methods, including time-resolved fluorometry (TRF) with Förster resonance energy transfer (FRET), X-Ray crystallography, nuclear magnetic resonance spectroscopy, mass spectroscopy, generative machine learning for inverse molecular design, quantum mechanics/molecular mechanics (QM/MM,ONIOM) and quantum molecular dynamics (QMT) methods. Particular attention is given to computational search techniques applied to peptide vaccines using novel mathematical descriptors and structure and ligand-based virtual screening techniques in drug discovery research. Given its scope, the book is a valuable resource for students, researchers and professionals from pharmaceutical industry interested in drug design and discovery.
Download or read book An Introduction to Computational Biochemistry written by C. Stan Tsai and published by John Wiley & Sons. This book was released on 2003-03-31 with total page 381 pages. Available in PDF, EPUB and Kindle. Book excerpt: This comprehensive text offers a solid introduction to the biochemical principles and skills required for any researcher applying computational tools to practical problems in biochemistry. Each chapter includes an introduction to the topic, a review of the biological concepts involved, a discussion of the programming and applications used, key references, and problem sets and answers. Providing detailed coverage of biochemical structures, enzyme reactions, metabolic simulation, genomic and proteomic analyses, and molecular modeling, this is the perfect resource for students and researchers in biochemistry, bioinformatics, bioengineering and computational science.
Download or read book Applied Theoretical Organic Chemistry written by Dean J Tantillo and published by World Scientific. This book was released on 2018-03-08 with total page 622 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book provides state-of-the-art information on how studies in applied theoretical organic chemistry are conducted. It highlights the many approaches and tools available to those interested in using computational chemistry to predict and rationalize structures and reactivity of organic molecules. Chapters not only describe theoretical techniques in detail, but also describe recent applications and offer practical advice.Authored by many of the world leaders in the field of applied theoretical chemistry, this book is perfect for both practitioners of computational chemistry and synthetic and mechanistic organic chemists curious about applying computational techniques to their research.Related Link(s)
Download or read book Computational Phytochemistry written by Satyajit Dey Sarker and published by Elsevier. This book was released on 2024-03-06 with total page 532 pages. Available in PDF, EPUB and Kindle. Book excerpt: Computational Phytochemistry, Second Edition, explores how recent advances in computational techniques and methods have been embraced by phytochemical researchers to enhance many of their operations, refocusing and expanding the possibilities of phytochemical studies. By applying computational aids and mathematical models to extraction, isolation, structure determination, and bioactivity testing, researchers can obtain highly detailed information about phytochemicals and optimize working approaches. This book aims to support and encourage researchers currently working with or looking to incorporate computational methods into their phytochemical work. Topics in this book include computational methods for predicting medicinal properties, optimizing extraction, isolating plant secondary metabolites, and building dereplicated phytochemical libraries. The roles of high-throughput screening, spectral data for structural prediction, plant metabolomics, and biosynthesis are all reviewed before the application of computational aids for assessing bioactivities and virtual screening is discussed. Illustrated with detailed figures and supported by practical examples, this book is an indispensable guide for all those involved with the identification, extraction, and application of active agents from natural products. This new edition captures remarkable advancements in mathematical modeling and computational methods that have been incorporated in phytochemical research, addressing, e.g., extraction, isolation, structure determination, and bioactivity testing of phytochemicals. - Includes step-by-step protocols for various computational and mathematical approaches applied to phytochemical research - Features clearly illustrated chapters contributed by highly reputable researchers - Covers all key areas in phytochemical research, including virtual screening and metabolomics
Download or read book Catalyzing Inquiry at the Interface of Computing and Biology written by National Research Council and published by National Academies Press. This book was released on 2006-01-01 with total page 469 pages. Available in PDF, EPUB and Kindle. Book excerpt: Advances in computer science and technology and in biology over the last several years have opened up the possibility for computing to help answer fundamental questions in biology and for biology to help with new approaches to computing. Making the most of the research opportunities at the interface of computing and biology requires the active participation of people from both fields. While past attempts have been made in this direction, circumstances today appear to be much more favorable for progress. To help take advantage of these opportunities, this study was requested of the NRC by the National Science Foundation, the Department of Defense, the National Institutes of Health, and the Department of Energy. The report provides the basis for establishing cross-disciplinary collaboration between biology and computing including an analysis of potential impediments and strategies for overcoming them. The report also presents a wealth of examples that should encourage students in the biological sciences to look for ways to enable them to be more effective users of computing in their studies.
Download or read book Chemical Biology written by Natanya Civjan and published by John Wiley & Sons. This book was released on 2012-08-07 with total page 657 pages. Available in PDF, EPUB and Kindle. Book excerpt: An authoritative look at the application of chemical biology in drug discovery and development Based on the award-winning Wiley Encyclopedia of Chemical Biology published in 2008, this book explores the role of chemical biology in drug discovery and development. The first part of the book reviews key principles and techniques used in the design and evaluation of drug candidates. The second part elucidates biological mechanisms of certain diseases, illuminating approaches to investigate and target these diseases. Comprising carefully selected reprints from the Encyclopedia as well as new contributions from leading scholars in the field, this book provides researchers in academia and industry with important information to aid in the development of novel agents to treat disease. Self-contained articles cover a variety of essential topics, including: The design, development, and optimization of drug candidates The pharmacokinetics and properties of drugs Drug transport and delivery Natural products and natural product models as pharmaceuticals Biological mechanisms underlying health and disease Treatment strategies for a range of diseases, from HIV to schizophrenia Chemical Biology is a top-notch guide and reference for anyone working in the areas of drug discovery and development, including researchers in chemical biology and other fields such as biochemistry, medicine, and pharmaceutical sciences.
Download or read book Computational Techniques for Analytical Chemistry and Bioanalysis written by Philippe B. Wilson and published by Royal Society of Chemistry. This book was released on 2020-12-10 with total page 383 pages. Available in PDF, EPUB and Kindle. Book excerpt: This work will serve as a definitive overview of the field of computational simulation as applied to analytical chemistry and biology, drawing on recent advances as well as describing essential, established theory for graduates and postgraduate researchers.
Download or read book Computational Structural Biology written by Torsten Schwede and published by World Scientific. This book was released on 2008 with total page 790 pages. Available in PDF, EPUB and Kindle. Book excerpt: This is a comprehensive introduction to Landau-Lifshitz equations and Landau-Lifshitz-Maxwell equations, beginning with the work by Yulin Zhou and Boling Guo in the early 1980s and including most of the work done by this Chinese group led by Zhou and Guo since. The book focuses on aspects such as the existence of weak solutions in multi dimensions, existence and uniqueness of smooth solutions in one dimension, relations with harmonic map heat flows, partial regularity and long time behaviors. The book is a valuable reference book for those who are interested in partial differential equations, geometric analysis and mathematical physics. It may also be used as an advanced textbook by graduate students in these fields.
Download or read book Chemoinformatics and Bioinformatics in the Pharmaceutical Sciences written by Navneet Sharma and published by Academic Press. This book was released on 2021-05-21 with total page 514 pages. Available in PDF, EPUB and Kindle. Book excerpt: Chemoinformatics and Bioinformatics in the Pharmaceutical Sciences brings together two very important fields in pharmaceutical sciences that have been mostly seen as diverging from each other: chemoinformatics and bioinformatics. As developing drugs is an expensive and lengthy process, technology can improve the cost, efficiency and speed at which new drugs can be discovered and tested. This book presents some of the growing advancements of technology in the field of drug development and how the computational approaches explained here can reduce the financial and experimental burden of the drug discovery process. This book will be useful to pharmaceutical science researchers and students who need basic knowledge of computational techniques relevant to their projects. Bioscientists, bioinformaticians, computational scientists, and other stakeholders from industry and academia will also find this book helpful. - Provides practical information on how to choose and use appropriate computational tools - Presents the wide, intersecting fields of chemo-bio-informatics in an easily-accessible format - Explores the fundamentals of the emerging field of chemoinformatics and bioinformatics
Download or read book Computational Approaches in Cheminformatics and Bioinformatics written by Rajarshi Guha and published by John Wiley & Sons. This book was released on 2012-01-04 with total page 299 pages. Available in PDF, EPUB and Kindle. Book excerpt: A breakthrough guide employing knowledge that unites cheminformatics and bioinformatics as innovation for the future Bridging the gap between cheminformatics and bioinformatics for the first time, Computational Approaches in Cheminformatics and Bioinformatics provides insight on how to blend these two sciences for progressive research benefits. It describes the development and evolution of these fields, how chemical information may be used for biological relations and vice versa, the implications of these new connections, and foreseeable developments in the future. Using algorithms and domains as workflow tools, this revolutionary text drives bioinformaticians to consider chemical structure, and similarly, encourages cheminformaticians to consider large biological systems such as protein targets and networks. Computational Approaches in Cheminformatics and Bioinformatics covers: Data sources available for modelling and prediction purposes Developments of conventional Quantitative Structure-Activity Relationships (QSAR) Computational tools for manipulating chemical and biological data Novel ways of probing the interactions between small molecules and proteins Also including insight from public (NIH), academic, and industrial sources (Novartis, Pfizer), this book offers expert knowledge to aid scientists through industry and academic study. The invaluable applications for drug discovery, cellular and molecular biology, enzymology, and metabolism make Computational Approaches in Cheminformatics and Bioinformatics the essential guidebook for evolving drug discovery research and alleviating the issue of chemical control and manipulation of various systems.
Download or read book The Chemical Biology of Carbon written by Christopher T. Walsh and published by Royal Society of Chemistry. This book was released on 2023-04-05 with total page 587 pages. Available in PDF, EPUB and Kindle. Book excerpt: The Chemical Biology of Carbon examines chemical biology open to carbon-containing natural metabolites that allow both retrospective and predictive behaviours of both biosynthetic and degradative metabolism in primary and secondary pathways ideal for medicinal chemists, chemical biologists and postgraduate students.
Download or read book The Chemical Biology of Nitrogen written by Christopher Walsh and published by Royal Society of Chemistry. This book was released on 2021-05-21 with total page 417 pages. Available in PDF, EPUB and Kindle. Book excerpt: The Chemical Biology of Nitrogen book provides a chemocentric approach to both the inorganic and organic chemical biology of nitrogen. Following an introduction to nitrogen trivalency the book progresses through the logic of inorganic nitrogen metabolism and organic nitrogen metabolites to nitrogen proteomics.
Download or read book The Chemical Biology of Phosphorus written by Christopher T Walsh and published by Royal Society of Chemistry. This book was released on 2020-10-29 with total page 567 pages. Available in PDF, EPUB and Kindle. Book excerpt: Alexander Todd, the 1957 Nobel laureate in chemistry is credited with the statement: “where there is life, there is phosphorus”. Phosphorus chemical biology underlies most of life’s reactions and processes, from the covalent bonds that hold RNA and DNA together, to the making and spending 75 kg of ATP every day, required to run almost all metabolic and mechanical events in cells. Authored by a renowned biochemist, The Chemical Biology of Phosphorus provides an in-depth, unifying chemical approach to the logic and reactivity of inorganic phosphate and its three major derivatives (anhydrides, mono- and diesters) throughout biology to examine why life depends on phosphorus. Covering the breadth of phosphorus chemistry in biology, this book is ideal for biochemistry students, postgraduates and researchers interested in the chemical logic of phosphate metabolites, energy generation, biopolymer accumulation and phosphoproteomics.
Download or read book Quorum Quenching A Chemical Biological Approach for Microbial Biofilm Mitigation and Drug Development written by Naga Raju Maddela and published by Royal Society of Chemistry. This book was released on 2023-12-15 with total page 426 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book The Chemical Biology of Sulfur written by Christopher T Walsh and published by Royal Society of Chemistry. This book was released on 2020-06-17 with total page 430 pages. Available in PDF, EPUB and Kindle. Book excerpt: This volume aims to provide an in-depth view of the complete biochemistry of sulfur with an emphasis on aspects not covered elsewhere. Given its role in the formation of proteins and presence in the amino acids methionine and cysteine, sulfur is essential to life. Current literature on the biochemistry of sulfur is vast and widely dispersed, as such this volume is intended as a single-source for everything concerning sulfur biochemistry from metabolic roles of inorganic sulfur, to thiol and thioether chemical biology, to the university of cysteine chemistry in proteomes. Authored by a renowned biochemist and experienced writer and educator, this book is ideal for students and researchers in biochemistry, biology and the life sciences with an interest in sulfur and its role in life.
Download or read book Mass Spectrometry in Chemical Biology written by Norberto Peporine Lopes and published by Royal Society of Chemistry. This book was released on 2017-11-22 with total page 312 pages. Available in PDF, EPUB and Kindle. Book excerpt: Mass spectrometry is one of the most widespread technologies in chemistry and has been increasingly used in biology with the rise of omics sciences. This book summarizes some important methodological approaches in mass spectrometry and applications in the field of chemical biology. The core chapters build on basic concepts introduced in the opening chapter and explore established fields such as high throughput screening, proteomics and metabolomics. Emerging applications of mass spectrometry in elucidating biosynthetic pathways, enzyme mechanisms and protein-protein interactions are then presented. Connections between these diverse research fields are highlighted throughout. The book concludes with a discussion of databases and future perspectives. This book will be a useful tool to early chemical biology researchers wishing to incorporate mass spectrometry as a tool in their research.
