computer aided drug discovery (28 Ergebnisse)

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Taschenbuch. Zustand: Neu. Neuware - Drug discovery has evolved from empirical experimentation into a data-driven, computation-intensive discipline, yet challenges of high attrition, rising costs, and translational failure persist. Addressing this complexity demands a mechanistic and predictive approach to molecular design.Computer-Aided Drug Design: Principles, Methods, and Applications in Drug Discovery presents a rigorous and integrated framework for modern CADD, encompassing molecular modeling, QSAR, docking, molecular dynamics, virtual screening, pharmacophore modeling, and fragment-based design. Rather than isolating techniques, the text connects algorithms, physicochemical principles, and biological systems to explain how computational methods guide rational drug development .Designed for postgraduate pharmacy students, doctoral researchers, and professionals, the book delivers conceptual clarity and algorithmic understanding while supporting structured academic responses and practical workflow competence.Its distinguishing strength lies in mechanistic depth and decision-focused reasoning-each method is examined in terms of its assumptions, parameter sensitivity, and real-world applicability, bridging computational prediction with pharmaceutical relevance.As drug discovery increasingly integrates artificial intelligence and large-scale data, this work provides a clear intellectual pathway to navigate and advance the future of rational therapeutic design.

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Taschenbuch. Zustand: Neu. Computer-Aided Drug Discovery | Wei Zhang | Taschenbuch | Methods in Pharmacology and Toxicology | xi | Englisch | 2018 | Humana | EAN 9781493980659 | Verantwortliche Person für die EU: Humana Press in Springer Science + Business Media, Heidelberger Platz 3, 14197 Berlin, juergen[dot]hartmann[at]springer[dot]com | Anbieter: preigu.

Zustand: New. 2018. Paperback. . . . . . Books ship from the US and Ireland.

Taschenbuch. Zustand: Neu. Druck auf Anfrage Neuware - Printed after ordering - This detailed volume examines computer-aided drug discovery (CADD), a crucial component of modern drug discovery programs that is widely utilized to identity and optimize bioactive compounds for the development of new drugs. With a focus on the methods that are commonly used in the early stage of drug discovery, chapters explore computer simulation, structure prediction, conformational sampling, binding site mapping, docking and scoring, in silico screening, and fragment-based drug design. In addition to the state-of-the-art theoretical concept, this book also includes step-by-step, readily reproducible computational protocols as well as examples of various CADD strategies. The limitations and potential pitfalls of different computational methods are discussed by experts, and tips and advice for their applications are suggested.Practical and thorough, Computer-Aided Drug Discovery serves as an ideal addition to theMethods in Pharmacology and Toxicology series, guiding researchers toward their lab's goals with this exciting and versatile technology.

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Paperback. Zustand: Brand New. 450 pages. 7.52x0.73x9.25 inches. In Stock.

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Zustand: Sehr gut. Zustand: Sehr gut | Seiten: 320 | Sprache: Englisch | Produktart: Bücher | This detailed volume examines computer-aided drug discovery (CADD), a crucial component of modern drug discovery programs that is widely utilized to identity and optimize bioactive compounds for the development of new drugs. With a focus on the methods that are commonly used in the early stage of drug discovery, chapters explore computer simulation, structure prediction, conformational sampling, binding site mapping, docking and scoring, in silico screening, and fragment-based drug design. In addition to the state-of-the-art theoretical concept, this book also includes step-by-step, readily reproducible computational protocols as well as examples of various CADD strategies. The limitations and potential pitfalls of different computational methods are discussed by experts, and tips and advice for their applications are suggested. Practical and thorough, Computer-Aided Drug Discovery serves as an ideal addition to the Methods in Pharmacology and Toxicology series, guiding researchers toward their lab¿s goals with this exciting and versatile technology.

Buch. Zustand: Neu. Druck auf Anfrage Neuware - Printed after ordering - This detailed volume examines computer-aided drug discovery (CADD), a crucial component of modern drug discovery programs that is widely utilized to identity and optimize bioactive compounds for the development of new drugs. With a focus on the methods that are commonly used in the early stage of drug discovery, chapters explore computer simulation, structure prediction, conformational sampling, binding site mapping, docking and scoring, in silico screening, and fragment-based drug design. In addition to the state-of-the-art theoretical concept, this book also includes step-by-step, readily reproducible computational protocols as well as examples of various CADD strategies. The limitations and potential pitfalls of different computational methods are discussed by experts, and tips and advice for their applications are suggested.Practical and thorough, Computer-Aided Drug Discovery serves as an ideal addition to theMethods in Pharmacology and Toxicology series, guiding researchers toward their lab's goals with this exciting and versatile technology.

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Hardcover. Zustand: Brand New. 10.25x7.25x1.00 inches. In Stock.

Zustand: New. Editor(s): Zhang, Wei. Series: Methods in Pharmacology and Toxicology. Num Pages: 316 pages, 12 black & white illustrations, 47 colour illustrations, 13 black & white tables, biograp. BIC Classification: MMG. Category: (P) Professional & Vocational. Dimension: 254 x 178 x 19. Weight in Grams: 797. . 2016. 1st ed. 2016. hardcover. . . . . Books ship from the US and Ireland.

Buch. Zustand: Neu. Neuware - Modern drug discovery and design programs use computer aided drug discovery (CADD) for identifying and optimizing bioactive compounds used for developing new drugs. It is also known by alternative terms such as in-silico pharmacology and computational therapeutics. CADD approaches are vital in identifying viable drug candidates at a low cost. These approaches are usually divided into two types, namely, structure-based and ligand-based drug design approaches. Both these approaches are used to identify suitable lead molecules. These computational methods are useful for reducing the use of animal models in pharmacological research, assisting in the rational design of novel and safe drug candidates, repositioning marketed drugs, and assisting medicinal chemists and pharmacologists throughout the drug discovery process. This book is a compilation of chapters that discuss the most vital concepts and emerging trends in the usage of computers for drug discovery and design. It will provide comprehensive knowledge to the readers.

Zustand: New. Provides real-world case studies that demonstrate successful CADD applications in drug developmentSimplifies complex concepts, making CADD accessible for researchers at all experience levelsHighlights emerging trends and future dir.

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Zustand: New. In.

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Paperback. Zustand: Brand New. 450 pages. 7.52x0.73x9.25 inches. In Stock.

Zustand: New. 2026. paperback. . . . . . Books ship from the US and Ireland.

Taschenbuch. Zustand: Neu. Innovations and Implementations of Computer Aided Drug Discovery Strategies in Rational Drug Design | Sanjeev Kumar Singh | Taschenbuch | vii | Englisch | 2022 | Springer | EAN 9789811589386 | Verantwortliche Person für die EU: Springer Verlag GmbH, Tiergartenstr. 17, 69121 Heidelberg, juergen[dot]hartmann[at]springer[dot]com | Anbieter: preigu.

Buch. Zustand: Neu. Druck auf Anfrage Neuware - Printed after ordering - This book presents various computer-aided drug discovery methods for the design and development of ligand and structure-based drug molecules. A wide variety of computational approaches are now being used in various stages of drug discovery and development, as well as in clinical studies. Yet, despite the rapid advances in computer software and hardware, combined with the exponential growth in the available biological information, there are many challenges that still need to be addressed, as this book shows.In turn, it shares valuable insights into receptor-ligand interactions in connection with various biological functions and human diseases. The book discusses a wide range of phylogenetic methods and highlights the applications of Molecular Dynamics Simulation in the drug discovery process. It also explores the application of quantum mechanics in order to provide better accuracy when calculating protein-ligand binding interactions and predicting binding affinities. In closing, the book provides illustrative descriptions of major challenges associated with computer-aided drug discovery for the development of therapeutic drugs. Given its scope, it offers a valuable asset for life sciences researchers, medicinal chemists and bioinformaticians looking for the latest information on computer-aided methodologies for drug development, together with their applications in drug discovery.

Taschenbuch. Zustand: Neu. Druck auf Anfrage Neuware - Printed after ordering - This book presents various computer-aided drug discovery methods for the design and development of ligand and structure-based drug molecules. A wide variety of computational approaches are now being used in various stages of drug discovery and development, as well as in clinical studies. Yet, despite the rapid advances in computer software and hardware, combined with the exponential growth in the available biological information, there are many challenges that still need to be addressed, as this book shows.In turn, it shares valuable insights into receptor-ligand interactions in connection with various biological functions and human diseases. The book discusses a wide range of phylogenetic methods and highlights the applications of Molecular Dynamics Simulation in the drug discovery process. It also explores the application of quantum mechanics in order to provide better accuracy when calculating protein-ligand binding interactions and predicting binding affinities. In closing, the book provides illustrative descriptions of major challenges associated with computer-aided drug discovery for the development of therapeutic drugs. Given its scope, it offers a valuable asset for life sciences researchers, medicinal chemists and bioinformaticians looking for the latest information on computer-aided methodologies for drug development, together with their applications in drug discovery.

Hardcover. Zustand: Brand New. 340 pages. 9.25x6.10x9.21 inches. In Stock.