Computer Aided Drug Design English Edition

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Computer-Aided Drug Design

Dev Bukhsh Singh
Computer Aided Drug Design Book PDF

Author : Dev Bukhsh Singh
Publisher : Springer Nature
Page : 308 pages
File Size : 55,7 Mb
Release : 2020-10-09
Category : Medical
ISBN : 9789811568152

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Computer-Aided Drug Design by Dev Bukhsh Singh Pdf

This book provides up-to-date information on bioinformatics tools for the discovery and development of new drug molecules. It discusses a range of computational applications, including three-dimensional modeling of protein structures, protein-ligand docking, and molecular dynamics simulation of protein-ligand complexes for identifying desirable drug candidates. It also explores computational approaches for identifying potential drug targets and for pharmacophore modeling. Moreover, it presents structure- and ligand-based drug design tools to optimize known drugs and guide the design of new molecules. The book also describes methods for identifying small-molecule binding pockets in proteins, and summarizes the databases used to explore the essential properties of drugs, drug-like small molecules and their targets. In addition, the book highlights various tools to predict the absorption, distribution, metabolism, excretion (ADME) and toxicity (T) of potential drug candidates. Lastly, it reviews in silico tools that can facilitate vaccine design and discusses their limitations.

Computer Aided Drug Design (English Edition)

Dr. V. Ganesan ,Dr. R. Xavier Arulappa
Computer Aided Drug Design English Edition Book PDF

Author : Dr. V. Ganesan ,Dr. R. Xavier Arulappa
Publisher : Thakur Publication Private Limited
Page : 168 pages
File Size : 49,5 Mb
Release : 2021-03-10
Category : Education
ISBN : 9789390972050

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Computer Aided Drug Design (English Edition) by Dr. V. Ganesan ,Dr. R. Xavier Arulappa Pdf

Buy E-Book of Computer Aided Drug Design (English Edition) Book For B.Pharm 8th Semester of U.P. State Universities

Molecular Docking for Computer-Aided Drug Design

Mohane S. Coumar
Molecular Docking for Computer Aided Drug Design Book PDF

Author : Mohane S. Coumar
Publisher : Academic Press
Page : 522 pages
File Size : 54,5 Mb
Release : 2021-02-17
Category : Medical
ISBN : 9780128223130

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Molecular Docking for Computer-Aided Drug Design by Mohane S. Coumar Pdf

Molecular Docking for Computer-Aided Drug Design: Fundamentals, Techniques, Resources and Applications offers in-depth coverage on the use of molecular docking for drug design. The book is divided into three main sections that cover basic techniques, tools, web servers and applications. It is an essential reference for students and researchers involved in drug design and discovery. Covers the latest information and state-of-the-art trends in structure-based drug design methodologies Includes case studies that complement learning Consolidates fundamental concepts and current practice of molecular docking into one convenient resource

Computer Aided Pharmaceutics and Drug Delivery

Vikas Anand Saharan
Computer Aided Pharmaceutics and Drug Delivery Book PDF

Author : Vikas Anand Saharan
Publisher : Springer Nature
Page : 767 pages
File Size : 43,9 Mb
Release : 2022-05-30
Category : Medical
ISBN : 9789811651809

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Computer Aided Pharmaceutics and Drug Delivery by Vikas Anand Saharan Pdf

This book examines the role of computer-assisted techniques for discovering, designing, optimizing and manufacturing new, effective, and safe pharmaceutical formulations and drug delivery systems. The book discusses computational approaches, statistical modeling and molecular modeling for the development and safe delivery of drugs in humans. The application of concepts of QbD (Quality by Design), DoE (Design of Experiments), artificial intelligence and in silico pharmacokinetic assessment/simulation have been made a lot easier with the help of commercial software and expert systems. This title provides in-depth knowledge of such useful software with illustrations from the latest researches. The book also fills in the gap between pharmaceutics and molecular modeling at micro, meso and maro scale by covering topics such as advancements in computer-aided Drug Design (CADD), drug-polymer interactions in drug delivery systems, molecular modeling of nanoparticles and pharmaceutics/bioinformatics. This book provides abundant applications of computers in formulation designing and characterization are provided as examples, case studies and illustrations. Short reviews of software, databases and expert systems have also been added to culminate the interest of readers for novel applications in formulation development and drug delivery. Computer-aided pharmaceutics and drug delivery is an authoritative reference source for all the latest scholarly update on emerging developments in computed assisted techniques for drug designing and development. The book is ideally designed for pharmacists, medical practitioners, students and researchers.

Computer Aided Drug Design (CADD): From Ligand-Based Methods to Structure-Based Approaches

Mithun Rudrapal,Chukwuebuka Egbuna
Computer Aided Drug Design CADD From Ligand Based Methods to Structure Based Approaches Book PDF

Author : Mithun Rudrapal,Chukwuebuka Egbuna
Publisher : Elsevier
Page : 324 pages
File Size : 46,7 Mb
Release : 2022-05-26
Category : Science
ISBN : 9780323914338

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Computer Aided Drug Design (CADD): From Ligand-Based Methods to Structure-Based Approaches by Mithun Rudrapal,Chukwuebuka Egbuna Pdf

Computer-Aided Drug Design (CADD): From Ligand-Based Methods to Structure-Based Approaches outlines the basic theoretical principles, methodologies and applications of different fundamental and advanced CADD approaches and techniques. Including information on current protocols as well as recent developments in the computational methods, tools and techniques used for rational drug design, the book explains the fundamental aspects of CADD, combining this with a practical understanding of the various in silico approaches used in modern drug discovery processes to assess the field in a comprehensive and systematic manner. Providing up-to-date, information and guidance for scientists, researchers, students and teachers, the book helps readers address specific academic and research related problems using illustrative explanations, examples and case studies, which are systematically reviewed. Highlights in silico approaches to drug design and discovery using computational tools and techniques Details ligand-based and structure-based drug design in a comprehensive and systematic approach Summarizes recent developments in computational drug design strategy as novel approaches of rational drug designing

Quick Guideline for Computational Drug Design (Revised Edition)

Sheikh Arslan Sehgal,Rana Adnan Tahir,Muhammad Waqas
Quick Guideline for Computational Drug Design Revised Edition Book PDF

Author : Sheikh Arslan Sehgal,Rana Adnan Tahir,Muhammad Waqas
Publisher : Bentham Science Publishers
Page : 126 pages
File Size : 52,7 Mb
Release : 2021-09-16
Category : Science
ISBN : 9789814998703

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Quick Guideline for Computational Drug Design (Revised Edition) by Sheikh Arslan Sehgal,Rana Adnan Tahir,Muhammad Waqas Pdf

Bioinformatics allows researchers to answer biological questions with advanced computational methods which involves the application of statistics and mathematical modeling. Structural bioinformatics enables the prediction and analysis of 3D structures of macromolecules while Computer Aided Drug Designing (CADD) assists scientists to design effective active molecules against diseases. However, the concepts in structural bioinformatics and CADD can be complex to understand for students and educated laymen. This quick guideline is intended as a basic manual for beginner students and instructors involved in bioinformatics and computational chemistry courses. Readers will learn the basics of structural bioinformatics, primary and secondary analysis and prediction, structural visualization, structural analysis and molecular docking. The book provides the reader an easy to read summary of the tools and techniques in structural bioinformatics as well as their limitations. In this revised edition, the authors have updated information in a number of chapters with a specific focus on the section on protein structure visualization and evaluation. Additional information on protein-ligand interaction studies has also been provided in this new edition. Therefore, the book is a useful handbook for aspiring scholars who wish to learn the basic concepts in computational analysis of biomolecules.

Computer Aided Drug Design in Industrial Research

E.C. Herrmann,R. Franke
Computer Aided Drug Design in Industrial Research Book PDF

Author : E.C. Herrmann,R. Franke
Publisher : Springer Science & Business Media
Page : 295 pages
File Size : 52,5 Mb
Release : 2013-03-09
Category : Science
ISBN : 9783662031414

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Computer Aided Drug Design in Industrial Research by E.C. Herrmann,R. Franke Pdf

The Ernst Schering Research Foundation sponsored its 15th workshop in Berlin on October 19-21, 1994. Leading scientists from Europe and North America were invited to discuss computer-aided drug design in industrial research. Computer-aided drug design is a very exciting field and an intellec tual challenge, like playing chess. But these reasons are no longer suf ficient to justify using this method in industry, if they ever were. Fig. 1. The participants of the workshop VI Preface Therefore, when we, together with Prof. Hoyer, started to think about this workshop, our intentions quickly became clear. We were not so much interested in the very latest developments of methods or in computer-aided drug design itself - enough conferences have dealt with these topics. However, we were very interested in the usefulness and limitations of computer-aided drug design in the indu strial research process. A lot has changed in the pharmaceutical industry recently. These changes are gaining momentum, so it is the right time to think about the role of computer-aided drug design in this changing environment.

Computer-Aided Drug Design and Delivery Systems

Ahindra Nag,Baishakhi Dey
Computer Aided Drug Design and Delivery Systems Book PDF

Author : Ahindra Nag,Baishakhi Dey
Publisher : McGraw Hill Professional
Page : 240 pages
File Size : 43,8 Mb
Release : 2010-10-06
Category : Technology & Engineering
ISBN : 9780071701259

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Computer-Aided Drug Design and Delivery Systems by Ahindra Nag,Baishakhi Dey Pdf

THE LATEST BREAKTHROUGHS IN COMPUTER-AIDED DRUG DESIGN AND DELIVERY This definitive text provides in-depth information on computer-assisted techniques for discovering, designing, and optimizing new, effective, and safe drugs. Computer-Aided Drug Design and Delivery Systems offers objective and quantitative data on the use and delivery of drugs in humans. Enabling technologies such as bioinformatics, pharmacokinetics, biosensors, robotics, and bioinstruments are thoroughly discussed in this innovative work. Coverage includes: Computer-aided drug design (CADD) Drug delivery systems Bioinformatics of drug molecules and databases Lipase- and esterase-mediated drugs and drug intermediates Pharmacokinetics and pharmacodynamics of drugs Biomarkers, biosensors, and robotics in medicine Biomedical instrumentation

Computer-Aided Drug Discovery

Wei Zhang
Computer Aided Drug Discovery Book PDF

Author : Wei Zhang
Publisher : Humana
Page : 0 pages
File Size : 40,8 Mb
Release : 2016-06-07
Category : Medical
ISBN : 1493935194

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Computer-Aided Drug Discovery by Wei Zhang Pdf

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.

Innovations and Implementations of Computer Aided Drug Discovery Strategies in Rational Drug Design

Sanjeev Kumar Singh
Innovations and Implementations of Computer Aided Drug Discovery Strategies in Rational Drug Design Book PDF

Author : Sanjeev Kumar Singh
Publisher : Springer Nature
Page : 334 pages
File Size : 43,7 Mb
Release : 2021-02-02
Category : Science
ISBN : 9789811589362

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Innovations and Implementations of Computer Aided Drug Discovery Strategies in Rational Drug Design by Sanjeev Kumar Singh Pdf

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.

Quantitative Drug Design

Yvonne C. Martin
Quantitative Drug Design Book PDF

Author : Yvonne C. Martin
Publisher : CRC Press
Page : 292 pages
File Size : 54,8 Mb
Release : 2010-05-06
Category : Medical
ISBN : 9781420071009

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Quantitative Drug Design by Yvonne C. Martin Pdf

Since the publication of the first edition, the field has changed dramatically. Scientists can now explicitly consider 3D features in quantitative structure-activity relationship (QSAR) studies and often have the 3D structure of the macromolecular target to guide the 3D QSAR. Improvements in computer hardware and software have also made the methods

Computer-Aided Drug Design

Anees Ahmad Siddiqui,Harish Kumar,Subuhi Khisal
Computer Aided Drug Design Book PDF

Author : Anees Ahmad Siddiqui,Harish Kumar,Subuhi Khisal
Publisher : CBS Publishers & Distributors Pvt Limited, India
Page : 128 pages
File Size : 52,5 Mb
Release : 2019-05-30
Category : Medical
ISBN : 9387964353

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Computer-Aided Drug Design by Anees Ahmad Siddiqui,Harish Kumar,Subuhi Khisal Pdf

This book is compiled to cover all the topics of computer-aided drug design for pharmacy professionals in industry. Written in easy to understand language, the text is well supplemented by illustrative diagrams, tables, molecular structures of drugs and their synthesis, providing a clear understanding of the subject to the reader.

Drug Design

Kenneth M. Merz,Dagmar Ringe,Charles H. Reynolds
Drug Design Book PDF

Author : Kenneth M. Merz,Dagmar Ringe,Charles H. Reynolds
Publisher : Cambridge University Press
Page : 289 pages
File Size : 40,7 Mb
Release : 2010-05-31
Category : Medical
ISBN : 9780521887236

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Drug Design by Kenneth M. Merz,Dagmar Ringe,Charles H. Reynolds Pdf

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.

Chemical Genomics

Haian Fu
Chemical Genomics Book PDF

Author : Haian Fu
Publisher : Cambridge University Press
Page : 359 pages
File Size : 48,7 Mb
Release : 2012-02-13
Category : Science
ISBN : 9781107377585

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Chemical Genomics by Haian Fu Pdf

Advances in chemistry, biology and genomics coupled with laboratory automation and computational technologies have led to the rapid emergence of the multidisciplinary field of chemical genomics. This edited text, with contributions from experts in the field, discusses the new techniques and applications that help further the study of chemical genomics. The beginning chapters provide an overview of the basic principles of chemical biology and chemical genomics. This is followed by a technical section that describes the sources of small-molecule chemicals; the basics of high-throughput screening technologies; and various bioassays for biochemical-, cellular- and organism-based screens. The final chapters connect the chemical genomics field with personalized medicine and the druggable genome for future discovery of new therapeutics. This book will be valuable to researchers, professionals and graduate students in many fields, including biology, biomedicine and chemistry.

Computational Drug Design

D. C. Young
Computational Drug Design Book PDF

Author : D. C. Young
Publisher : John Wiley & Sons
Page : 344 pages
File Size : 48,9 Mb
Release : 2009-01-28
Category : Science
ISBN : 047045184X

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Computational Drug Design by D. C. Young Pdf

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.