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Author: N.B. Singh
Publisher: N.B. Singh
ISBN:
Category : Science
Languages : en
Pages : 394
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Book Description
"A Handbook of Quantum Mechanics in Drug Discovery" is a comprehensive guide tailored for absolute beginners without a mathematical background, offering a clear and accessible introduction to the intricate realm of quantum mechanics as applied to the field of drug discovery. Through simplified explanations and practical examples, this handbook demystifies complex concepts, providing readers with a foundational understanding of quantum mechanics principles and their crucial role in modern pharmaceutical research. From elucidating the electronic structure of molecules to exploring quantum algorithms for drug design and prediction, this book equips readers with the essential knowledge and insights necessary to navigate the intersection of quantum mechanics and drug discovery with confidence and clarity.
Author: N.B. Singh
Publisher: N.B. Singh
ISBN:
Category : Science
Languages : en
Pages : 394
Get Book Here
Book Description
"A Handbook of Quantum Mechanics in Drug Discovery" is a comprehensive guide tailored for absolute beginners without a mathematical background, offering a clear and accessible introduction to the intricate realm of quantum mechanics as applied to the field of drug discovery. Through simplified explanations and practical examples, this handbook demystifies complex concepts, providing readers with a foundational understanding of quantum mechanics principles and their crucial role in modern pharmaceutical research. From elucidating the electronic structure of molecules to exploring quantum algorithms for drug design and prediction, this book equips readers with the essential knowledge and insights necessary to navigate the intersection of quantum mechanics and drug discovery with confidence and clarity.
Author: Alexander Heifetz
Publisher: Humana
ISBN: 9781071602843
Category : Medical
Languages : en
Pages : 360
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Book Description
This volume looks at applications of quantum mechanical (QM) methods in drug discovery. The chapters in this book describe how QM approaches can be applied to address key drug discovery issues, such as characterizing protein-water-ligand and protein-protein interactions, providing estimates of binding affinities, determining ligand energies and bioactive conformations, refinement of molecular geometries, scoring docked protein–ligand poses, describing molecular similarity, structure–activity-relationship (SAR) analysis, and ADMET prediction. Written in the highly successful Methods in Molecular Biology series format, chapters include introductions to their respective topics, lists of the necessary software and tools, step-by-step, readily reproducible modeling protocols, and tips on troubleshooting and avoiding known pitfalls. Cutting-edge and unique, Quantum Mechanics in Drug Discovery is a valuable resource for structural and molecular biologists, computational and medicinal chemists, pharmacologists, and drug designers.
Author: D. C. Young
Publisher: John Wiley & Sons
ISBN: 9780470451847
Category : Science
Languages : en
Pages : 344
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Book Description
Helps you choose the right computational tools and techniques to meet your drug design goals Computational Drug Design covers all of the major computational drug design techniques in use today, focusing on the process that pharmaceutical chemists employ to design a new drug molecule. The discussions of which computational tools to use and when and how to use them are all based on typical pharmaceutical industry drug design processes. Following an introduction, the book is divided into three parts: Part One, The Drug Design Process, sets forth a variety of design processes suitable for a number of different drug development scenarios and drug targets. The author demonstrates how computational techniques are typically used during the design process, helping readers choose the best computational tools to meet their goals. Part Two, Computational Tools and Techniques, offers a series of chapters, each one dedicated to a single computational technique. Readers discover the strengths and weaknesses of each technique. Moreover, the book tabulates comparative accuracy studies, giving readers an unbiased comparison of all the available techniques. Part Three, Related Topics, addresses new, emerging, and complementary technologies, including bioinformatics, simulations at the cellular and organ level, synthesis route prediction, proteomics, and prodrug approaches. The book's accompanying CD-ROM, a special feature, offers graphics of the molecular structures and dynamic reactions discussed in the book as well as demos from computational drug design software companies. Computational Drug Design is ideal for both students and professionals in drug design, helping them choose and take full advantage of the best computational tools available. Note: CD-ROM/DVD and other supplementary materials are not included as part of eBook file.
Author: N.B. Singh
Publisher: N.B. Singh
ISBN:
Category : Science
Languages : en
Pages : 379
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Book Description
"Quantum Mechanics in Drug Discovery" is an illuminating guide that navigates the intersection of quantum mechanics and pharmaceutical research. Designed for scientists, researchers, and professionals in the field of drug discovery, this book explores the crucial role of quantum mechanics in understanding molecular interactions, electronic structures, and the behavior of chemical compounds. Covering principles such as quantum molecular modeling and computational chemistry, the book provides valuable insights into predicting and optimizing drug properties with precision. With clarity and practical relevance, it serves as an indispensable resource for those seeking a deeper understanding of how quantum mechanics contributes to the advancement of drug development and innovation.
Author: Patrick Bultinck
Publisher: CRC Press
ISBN: 9780203913390
Category : Science
Languages : en
Pages : 844
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Book Description
Observing computational chemistry's proven value to the introduction of new medicines, Computational Medicinal Chemistry for Drug Discovery offers the techniques most frequently utilized by industry and academia for ligand design. Featuring contributions from more than 50 preeminent scientists, this book surveys molecular structure computation, intermolecular behavior, ligand-receptor interaction, and modeling. It also examines molecular mechanics, semi-empirical methods, wave function-based quantum chemistry, density functional theory, 3-D structure generation, and hybrid methods.
Author: Johann Gasteiger
Publisher:
ISBN: 9783527306800
Category : Cheminformatics
Languages : en
Pages : 1870
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Book Description
"The new discipline of chemoinformatics covers the application of computer-assisted methods to chemical problems such as information storage and retrieval, the prediction of physical, chemical or biological properties of compounds, spectra simulation, structure elucidation, reaction modeling, synthesis planning and drug design. ... this four-volume Handbook contains in-depth contributions from top authors from around the world, with the content organized into chapters dealing with the representation of molecular structures and reactions, data types and databases/data sources, search methods, methods for data analysis as well as applications"--Back cover.
Author: Kenneth M. Merz
Publisher: Cambridge University Press
ISBN: 0521887232
Category : Medical
Languages : en
Pages : 289
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Book Description
This book provides a complete snapshot of various experimental approaches to structure-based and ligand-based drug design and is illustrated with more than 200 images.
Author: John Babikian
Publisher: John Babikian
ISBN:
Category : Computers
Languages : en
Pages : 113
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Book Description
Within the realm of blockchain technology, John Babikian, a notable lawyer and computer engineer, has carved out a distinct identity for himself. With several years of involvement in the industry, he has not only garnered attention but has also made substantial investments in various blockchain projects. Delving into the essence of blockchain technology and John's profound interest in it, this article aims to unravel the dynamics of this rapidly expanding industry and the notable contributions made by John Babikian. John Babikian is also a renowned author, researcher, and speaker specializing in cutting-edge technology and its transformative impact on various aspects of life. With a passion for understanding and harnessing the power of innovation, John Babikian academic background in computer science and engineering along with law has provided him with a strong foundation for his work in quantum computing. Over the years, he has conducted research, developed applications, and collaborated with leading experts in the world.
Author: Ron Legarski
Publisher: SolveForce
ISBN:
Category : Computers
Languages : en
Pages : 182
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Book Description
The Comprehensive Guide to Databases offers an in-depth exploration into the dynamic world of database technology. This guide is designed for a wide audience, from beginners to seasoned professionals, aiming to enhance their understanding of database management. It covers the foundations of database technology, including relational databases, NoSQL solutions, and advanced topics such as distributed systems, big data analytics, and the role of AI and machine learning in database management. With detailed explanations of key concepts, practical applications, and real-world case studies, this book provides readers with the skills necessary to design, implement, and manage database systems effectively. The guide also looks toward the future of database technology, examining emerging trends like cloud databases, data security, and regulatory compliance, making it an essential resource for anyone looking to master the art of database management in the modern digital landscape.
Author: John P. Lowe
Publisher: Elsevier
ISBN: 0080515541
Category : Science
Languages : en
Pages : 732
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Book Description
Praised for its appealing writing style and clear pedagogy, Lowe's Quantum Chemistry is now available in its Second Edition as a text for senior undergraduate- and graduate-level chemistry students. The book assumes little mathematical or physical sophistication and emphasizes an understanding of the techniques and results of quantum chemistry, thus enabling students to comprehend much of the current chemical literature in which quantum chemical methods or concepts are used as tools. The book begins with a six-chapter introduction of standard one-dimensional systems, the hydrogen atom, many-electron atoms, and principles of quantum mechanics. It then provides thorough treatments of variation and perturbation methods, group theory, ab initio theory, Huckel and extended Huckel methods, qualitative MO theory, and MO theory of periodic systems. Chapters are completed with exercises to facilitate self-study. Solutions to selected exercises are included. - Assumes little mathematical or physical sophistication - Emphasizes understanding of the techniques and results of quantum chemistry - Includes improved coverage of time-dependent phenomena, term symbols, and molecular rotation and vibration - Provides a new chapter on molecular orbital theory of periodic systems - Features new exercise sets with solutions - Includes a helpful new appendix that compiles angular momentum rules from operator algebra
