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Computational Medicinal Chemistry for Drug Discovery

2003-12-17 Medical
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Release : 2003-12-17
Genre : Medical
Kind : eBook
Book Rating : 390/5 ( reviews)

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Book Synopsis Computational Medicinal Chemistry for Drug Discovery by : Patrick Bultinck

Download or read book Computational Medicinal Chemistry for Drug Discovery written by Patrick Bultinck. This book was released on 2003-12-17. Available in PDF, EPUB and Kindle. Book excerpt: 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.

Computational Drug Design

2009-01-28 Science
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Release : 2009-01-28
Genre : Science
Kind : eBook
Book Rating : 847/5 ( reviews)

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Book Synopsis Computational Drug Design by : D. C. Young

Download or read book Computational Drug Design written by D. C. Young. This book was released on 2009-01-28. Available in PDF, EPUB and Kindle. Book excerpt: 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.

Computational Medicinal Chemistry for Drug Discovery

2003-12-17 Science
Download Computational Medicinal Chemistry for Drug Discovery PDF Online Free

Author :
Release : 2003-12-17
Genre : Science
Kind : eBook
Book Rating : 633/5 ( reviews)

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Book Synopsis Computational Medicinal Chemistry for Drug Discovery by : Patrick Bultinck

Download or read book Computational Medicinal Chemistry for Drug Discovery written by Patrick Bultinck. This book was released on 2003-12-17. Available in PDF, EPUB and Kindle. Book excerpt: Observing computational chemistry's proven value to the introduction of new medicines, this reference offers the techniques most frequently utilized by industry and academia for ligand design. Featuring contributions from more than fifty pre-eminent scientists, Computational Medicinal Chemistry for Drug Discovery surveys molecular structure computation, intermolecular behavior, ligand-receptor interaction, and modeling responding to market demands in its selection and authoritative treatment of topics. The book examines molecular mechanics, semi-empirical methods, wave function-based quantum chemistry, density functional theory, 3-D structure generation, and hybrid methods.

Computational Approaches: Drug Discovery and Design in Medicinal Chemistry and Bioinformatics

2021
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Release : 2021
Genre :
Kind : eBook
Book Rating : 789/5 ( reviews)

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Book Synopsis Computational Approaches: Drug Discovery and Design in Medicinal Chemistry and Bioinformatics by : Marco Tutone

Download or read book Computational Approaches: Drug Discovery and Design in Medicinal Chemistry and Bioinformatics written by Marco Tutone. This book was released on 2021. Available in PDF, EPUB and Kindle. Book excerpt: This book is a collection of original research articles in the field of computer-aided drug design. It reports the use of current and validated computational approaches applied to drug discovery as well as the development of new computational tools to identify new and more potent drugs.

Chemoinformatics in Drug Discovery

2006-03-06 Science
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Release : 2006-03-06
Genre : Science
Kind : eBook
Book Rating : 200/5 ( reviews)

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Book Synopsis Chemoinformatics in Drug Discovery by : Tudor I. Oprea

Download or read book Chemoinformatics in Drug Discovery written by Tudor I. Oprea. This book was released on 2006-03-06. Available in PDF, EPUB and Kindle. Book excerpt: This handbook provides the first-ever inside view of today's integrated approach to rational drug design. Chemoinformatics experts from large pharmaceutical companies, as well as from chemoinformatics service providers and from academia demonstrate what can be achieved today by harnessing the power of computational methods for the drug discovery process. With the user rather than the developer of chemoinformatics software in mind, this book describes the successful application of computational tools to real-life problems and presents solution strategies to commonly encountered problems. It shows how almost every step of the drug discovery pipeline can be optimized and accelerated by using chemoinformatics tools -- from the management of compound databases to targeted combinatorial synthesis, virtual screening and efficient hit-to-lead transition. An invaluable resource for drug developers and medicinal chemists in academia and industry.

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