In-Silico Approaches to Macromolecular Chemistry

In-Silico Approaches to Macromolecular Chemistry PDF Author: Minu Elizabeth Thomas
Publisher: Elsevier
ISBN: 0323909965
Category : Science
Languages : en
Pages : 628

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Book Description
Computational approaches offer researchers unique insights into the structure, characteristics, and properties of macromolecules. However, with applications across a broad range of areas, various methods have been developed for exploring macromolecules in in silico; therefore, it can be difficult for researchers to select the most appropriate method for their specific needs. Covering both biopolymers and synthetic polymers, In-Silico Approaches to Macromolecular Chemistry familiarizes readers with the theoretical tools and software appropriate for such studies. In addition to providing essential background knowledge on both computational tools and macromolecules, the book presents in-depth studies of in silico macromolecule chemistry, discusses and compares these with experimental studies, and highlights the future potential for such approaches. Written by specialists in their respective fields, this book helps students, researchers, and industry professionals gain a clear overview of the field, and furnishes them with the knowledge needed to understand and select the most appropriate tools for conducting and analyzing computational studies. - Highlights in silico studies of both bio and synthetic macromolecules in one book - Supports both learners and experts though a combination of detailed guidance and perspectives on the future potential for in silico approaches to macromolecules - Familiarizes readers with theoretical tools and software helping them select the best approach for their specific needs

In-Silico Approaches to Macromolecular Chemistry

In-Silico Approaches to Macromolecular Chemistry PDF Author: Minu Elizabeth Thomas
Publisher: Elsevier
ISBN: 0323909965
Category : Science
Languages : en
Pages : 628

Get Book Here

Book Description
Computational approaches offer researchers unique insights into the structure, characteristics, and properties of macromolecules. However, with applications across a broad range of areas, various methods have been developed for exploring macromolecules in in silico; therefore, it can be difficult for researchers to select the most appropriate method for their specific needs. Covering both biopolymers and synthetic polymers, In-Silico Approaches to Macromolecular Chemistry familiarizes readers with the theoretical tools and software appropriate for such studies. In addition to providing essential background knowledge on both computational tools and macromolecules, the book presents in-depth studies of in silico macromolecule chemistry, discusses and compares these with experimental studies, and highlights the future potential for such approaches. Written by specialists in their respective fields, this book helps students, researchers, and industry professionals gain a clear overview of the field, and furnishes them with the knowledge needed to understand and select the most appropriate tools for conducting and analyzing computational studies. - Highlights in silico studies of both bio and synthetic macromolecules in one book - Supports both learners and experts though a combination of detailed guidance and perspectives on the future potential for in silico approaches to macromolecules - Familiarizes readers with theoretical tools and software helping them select the best approach for their specific needs

In-Silico Approaches to Macromolecular Chemistry

In-Silico Approaches to Macromolecular Chemistry PDF Author: Minu Elizabeth Thomas
Publisher: Elsevier
ISBN: 0323909957
Category : Science
Languages : en
Pages : 626

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Book Description
In Silico Approaches to Macromolecular Chemistry helps students, researchers and industry professionals gain a clear overview of the field, giving users the knowledge needed to understand and select the most appropriate tools for conducting and analyzing computational studies. With applications across a broad range of areas, many different methods have been developed for exploring macromolecules in silico, making it difficult for researchers to select the most appropriate for their specific needs. Covering both biopolymers and synthetic polymers, this book familiarizes readers with the theoretical tools and software appropriate for such studies. In addition to providing essential background knowledge on both computational tools and macromolecules, the book presents in-depth studies of in silico macromolecule chemistry, discusses and compares these with experimental studies, and highlights the future potential for such approaches. Highlights in silico studies of both bio and synthetic macromolecules in one book Supports both learners and experts though a combination of detailed guidance and perspectives on the future potential for in silico approaches to macromolecules Familiarizes readers with theoretical tools and software helping readers select the best approach for their needs

Quantum Crystallography

Quantum Crystallography PDF Author: Chérif Matta
Publisher: Walter de Gruyter GmbH & Co KG
ISBN: 3110565714
Category : Science
Languages : en
Pages : 265

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Book Description
Quantum crystallography (QCr) is a novel scientific discipline combining quantum chemistry methods and crystal structure determination. Written by leading experts in the field, this book describes original quantum-mechanical approaches to obtain crystallographic data of enhanced value and explains how they correlate with real diffraction and scattering experiments. In particular, the book covers quantum N-representability, Clinton equations, kernel energy method (KEM), and quantum theory of atoms in molecules (QTAIM) methods and their applications in crystallographic studies. Readers will be interested in the Foreword written by Nobel Laureate Ada Yonath and the Epilogue by noted science philosopher Olimpia Lombardi.

In Silico Methods for Drug Design and Discovery

In Silico Methods for Drug Design and Discovery PDF Author: Simone Brogi
Publisher: Frontiers Media SA
ISBN: 2889660575
Category : Science
Languages : en
Pages : 504

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Book Description
This eBook is a collection of articles from a Frontiers Research Topic. Frontiers Research Topics are very popular trademarks of the Frontiers Journals Series: they are collections of at least ten articles, all centered on a particular subject. With their unique mix of varied contributions from Original Research to Review Articles, Frontiers Research Topics unify the most influential researchers, the latest key findings and historical advances in a hot research area! Find out more on how to host your own Frontiers Research Topic or contribute to one as an author by contacting the Frontiers Editorial Office: frontiersin.org/about/contact.

In-Silico Lead Discovery

In-Silico Lead Discovery PDF Author: Maria A. Miteva
Publisher: Bentham Science Publishers
ISBN: 1608051420
Category : Science
Languages : en
Pages : 201

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Book Description
Computer-aided drug design and in silico screening have contributed to the discovery of several compounds that have either reached the market or entered clinical trials. In silico Lead Discovery is a compilation of the efforts of several experts on bioinf

Drug Repurposing

Drug Repurposing PDF Author: Mithun Rudrapal
Publisher: BoD – Books on Demand
ISBN: 1837687765
Category : Medical
Languages : en
Pages : 225

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Book Description
Drug repurposing (or drug repositioning) is defined as the process of identifying new pharmacological indications of old, existing, investigational, or FDA-approved drugs for use in the treatment of diseases other than the drugs’ original intended therapeutic use. Drug Repurposing - Advances, Scopes and Opportunities in Drug Discovery delivers up-to-date information on the identification of newer uses, molecular mechanisms, and novel targets of existing drug candidates through the application of various experimental, biophysical, and computational approaches and techniques. Chapters discuss recent advances in drug repurposing strategies that are currently being used in the discovery and development of drugs against difficult-to-treat, rare, and life-threatening diseases, including microbial infections, COVID-19, parasitic diseases, cardiovascular diseases, neurological disorders, and cancer. The book also discusses the modern experimental assays (HTS) and computational techniques including informatics and databases, molecular docking and dynamics, artificial intelligence and machine learning, virtual screening and pharmacophore modeling, proteomics and metabolomics, and network pharmacology and systems biology approaches. Some of the key features of the book are: • Presents the strategies available for the development of drugs by drug repurposing approaches through various experimental and computational techniques for the treatment of difficult-to-treat, rare, and deadly diseases • Summarizes the latest advances in the application of drug repurposing strategies, techniques, and approaches in the discovery and development of drugs • Depicts drug development approaches from existing drug candidates and/or lead molecules through modern experimental assays, biophysical tools, and computational techniques Written by a global team of experts, this book is useful for drug discovery scientists, drug developers, medicinal chemists, phytochemists, pharmacologists, clinicians, biochemists, biomedical scientists, healthcare professionals, researchers, teaching faculty, and students.

Computing Handbook

Computing Handbook PDF Author: Teofilo Gonzalez
Publisher: CRC Press
ISBN: 1439898537
Category : Computers
Languages : en
Pages : 2326

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Book Description
The first volume of this popular handbook mirrors the modern taxonomy of computer science and software engineering as described by the Association for Computing Machinery (ACM) and the IEEE Computer Society (IEEE-CS). Written by established leading experts and influential young researchers, it examines the elements involved in designing and implementing software, new areas in which computers are being used, and ways to solve computing problems. The book also explores our current understanding of software engineering and its effect on the practice of software development and the education of software professionals.

Computing Handbook

Computing Handbook PDF Author: Allen Tucker
Publisher: CRC Press
ISBN: 1439898456
Category : Computers
Languages : en
Pages : 3851

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Book Description
This two volume set of the Computing Handbook, Third Edition (previously theComputer Science Handbook) provides up-to-date information on a wide range of topics in computer science, information systems (IS), information technology (IT), and software engineering. The third edition of this popular handbook addresses not only the dramatic growth of computing as a discipline but also the relatively new delineation of computing as a family of separate disciplines as described by the Association for Computing Machinery (ACM), the IEEE Computer Society (IEEE-CS), and the Association for Information Systems (AIS). Both volumes in the set describe what occurs in research laboratories, educational institutions, and public and private organizations to advance the effective development and use of computers and computing in today's world. Research-level survey articles provide deep insights into the computing discipline, enabling readers to understand the principles and practices that drive computing education, research, and development in the twenty-first century. Chapters are organized with minimal interdependence so that they can be read in any order and each volume contains a table of contents and subject index, offering easy access to specific topics. The first volume of this popular handbook mirrors the modern taxonomy of computer science and software engineering as described by the Association for Computing Machinery (ACM) and the IEEE Computer Society (IEEE-CS). Written by established leading experts and influential young researchers, it examines the elements involved in designing and implementing software, new areas in which computers are being used, and ways to solve computing problems. The book also explores our current understanding of software engineering and its effect on the practice of software development and the education of software professionals. The second volume of this popular handbook demonstrates the richness and breadth of the IS and IT disciplines. The book explores their close links to the practice of using, managing, and developing IT-based solutions to advance the goals of modern organizational environments. Established leading experts and influential young researchers present introductions to the current status and future directions of research and give in-depth perspectives on the contributions of academic research to the practice of IS and IT development, use, and management.

Systems Medicine

Systems Medicine PDF Author:
Publisher: Academic Press
ISBN: 0128160780
Category : Science
Languages : en
Pages : 1571

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Book Description
Technological advances in generated molecular and cell biological data are transforming biomedical research. Sequencing, multi-omics and imaging technologies are likely to have deep impact on the future of medical practice. In parallel to technological developments, methodologies to gather, integrate, visualize and analyze heterogeneous and large-scale data sets are needed to develop new approaches for diagnosis, prognosis and therapy. Systems Medicine: Integrative, Qualitative and Computational Approaches is an innovative, interdisciplinary and integrative approach that extends the concept of systems biology and the unprecedented insights that computational methods and mathematical modeling offer of the interactions and network behavior of complex biological systems, to novel clinically relevant applications for the design of more successful prognostic, diagnostic and therapeutic approaches. This 3 volume work features 132 entries from renowned experts in the fields and covers the tools, methods, algorithms and data analysis workflows used for integrating and analyzing multi-dimensional data routinely generated in clinical settings with the aim of providing medical practitioners with robust clinical decision support systems. Importantly the work delves into the applications of systems medicine in areas such as tumor systems biology, metabolic and cardiovascular diseases as well as immunology and infectious diseases amongst others. This is a fundamental resource for biomedical students and researchers as well as medical practitioners who need to need to adopt advances in computational tools and methods into the clinical practice. Encyclopedic coverage: ‘one-stop’ resource for access to information written by world-leading scholars in the field of Systems Biology and Systems Medicine, with easy cross-referencing of related articles to promote understanding and further research Authoritative: the whole work is authored and edited by recognized experts in the field, with a range of different expertise, ensuring a high quality standard Digitally innovative: Hyperlinked references and further readings, cross-references and diagrams/images will allow readers to easily navigate a wealth of information

Value-Addition in Food Products and Processing Through Enzyme Technology

Value-Addition in Food Products and Processing Through Enzyme Technology PDF Author: Mohammed Kuddus
Publisher: Academic Press
ISBN: 0323903762
Category : Science
Languages : en
Pages : 540

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Book Description
Value Addition in Food Products and Processing using Enzyme Technology offers an updated review regarding the potential impact of new enzymes and enzyme technology on the food sector. The book brings together novel sources and technologies regarding enzymes in value added food development, food production, food processing, food preservation, food engineering and food biotechnology. It will be extremely useful for different types of readers, including food scientists, academic and food biotechnologists, but will also be ideal for students studying food-related courses. This book includes concise and up-to-date research information from multiple independent scientific papers from around the world. This is a essential, multidisciplinary text for research and development professionals, research scientists, and academics in food, biotechnology, and agriculture industries. It addresses safety issues and includes the sources, screening, immobilization and application of food-grade enzymes in food. - Presents research data from experts - Includes emerging industry topics such as baby food and food safety - Offers methodologies of enzymes in diagnostics for food testing and analysis - Emphasizes enzyme technology through a microbial biotechnological lens - Includes bakery and confectionery products, meat and poultry products, vegetables, food ingredients, functional foods, flavors and food additives and seafood