Molecular Docking for Computer Aided Drug Design

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  • Publisher : Academic Press
  • Release : 17 February 2021
  • ISBN : 9780128223130
  • Page : 520 pages
  • Rating : 4.5/5 from 103 voters

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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

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Molecular Docking for Computer-Aided Drug Design

Molecular Docking for Computer-Aided Drug Design
  • Author : S. Mohane Coumar
  • Publisher : Academic Press
  • Release Date : 2021-02-17
  • ISBN : 9780128223130
GET THIS BOOKMolecular Docking for Computer-Aided Drug Design

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 for Computer-Aided Drug Design

Molecular Docking for Computer-Aided Drug Design
  • Author : Mohane S. Coumar
  • Publisher : Academic Press
  • Release Date : 2021-03-04
  • ISBN : 9780128223123
GET THIS BOOKMolecular Docking for Computer-Aided Drug Design

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

Applied Case Studies and Solutions in Molecular Docking-Based Drug Design

Applied Case Studies and Solutions in Molecular Docking-Based Drug Design
  • Author : Dastmalchi, Siavoush
  • Publisher : IGI Global
  • Release Date : 2016-05-11
  • ISBN : 9781522503637
GET THIS BOOKApplied Case Studies and Solutions in Molecular Docking-Based Drug Design

As the pharmaceutical industry continues to advance, new techniques in drug design are emerging. In order to deliver optimum care to patients, the development of innovative pharmacological techniques has become a widely studied topic. Applied Case Studies and Solutions in Molecular Docking-Based Drug Design is a pivotal reference source for the latest scholarly research on the progress of pharmaceutical design and computational approaches in the field of molecular docking. Highlighting innovative research perspectives and real-world applications, this book is ideally

Computer-Aided Drug Design

Computer-Aided Drug Design
  • Author : Dev Bukhsh Singh
  • Publisher : Springer Nature
  • Release Date : 2020-10-09
  • ISBN : 9789811568152
GET THIS BOOKComputer-Aided Drug Design

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

Computer-Aided Drug Discovery

Computer-Aided Drug Discovery
  • Author : Wei Zhang
  • Publisher : Humana Press
  • Release Date : 2016-06-07
  • ISBN : 1493935194
GET THIS BOOKComputer-Aided Drug Discovery

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

Methods and Algorithms for Molecular Docking-Based Drug Design and Discovery

Methods and Algorithms for Molecular Docking-Based Drug Design and Discovery
  • Author : Dastmalchi, Siavoush
  • Publisher : IGI Global
  • Release Date : 2016-05-03
  • ISBN : 9781522501169
GET THIS BOOKMethods and Algorithms for Molecular Docking-Based Drug Design and Discovery

The role of technology in the medical field has resulted in significant developments within the pharmaceutical industry. Computational approaches have emerged as a crucial method in further advancing drug design and development. Methods and Algorithms for Molecular Docking-Based Drug Design and Discovery presents emerging research on the application of computer-assisted design methods for drugs, emphasizing the benefits and improvements that molecular docking has caused within the pharmaceutical industry. Focusing on validation methods, search algorithms, and scoring functions, this book is

Concepts and Experimental Protocols of Modelling and Informatics in Drug Design

Concepts and Experimental Protocols of Modelling and Informatics in Drug Design
  • Author : Om Silakari,Pankaj Kumar Singh
  • Publisher : Academic Press
  • Release Date : 2020-11-05
  • ISBN : 9780128205471
GET THIS BOOKConcepts and Experimental Protocols of Modelling and Informatics in Drug Design

Concepts and Experimental Protocols of Modelling and Informatics in Drug Design discusses each experimental protocol utilized in the field of bioinformatics, focusing especially on computer modeling for drug development. It helps the user in understanding the field of computer-aided molecular modeling (CAMM) by presenting solved exercises and examples. The book discusses topics such as fundamentals of molecular modeling, QSAR model generation, protein databases and how to use them to select and analyze protein structure, and pharmacophore modeling for drug targets.

Chemical Genomics

Chemical Genomics
  • Author : Haian Fu
  • Publisher : Cambridge University Press
  • Release Date : 2012-02-13
  • ISBN : 9781107377585
GET THIS BOOKChemical Genomics

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;

Drug Discovery and Development

Drug Discovery and Development
  • Author : Vishwanath Gaitonde,Partha Karmakar,Ashit Trivedi
  • Publisher : BoD – Books on Demand
  • Release Date : 2020-03-11
  • ISBN : 9781789239751
GET THIS BOOKDrug Discovery and Development

The process of drug discovery and development is a complex multistage logistics project spanned over 10-15 years with an average budget exceeding 1 billion USD. Starting with target identification and synthesizing anywhere between 10k to 15k synthetic compounds to potentially obtain the final drug that reaches the market involves a complicated maze with multiple inter- and intra-operative fields. Topics described in this book emphasize the progresses in computational applications, pharmacokinetics advances, and molecular modeling developments. In addition the book also contains

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

Innovations and Implementations of Computer Aided Drug Discovery Strategies in Rational Drug Design
  • Author : Sanjeev Kumar Singh
  • Publisher : Springer Nature
  • Release Date : 2021-02-02
  • ISBN : 9789811589362
GET THIS BOOKInnovations and Implementations of Computer Aided Drug Discovery Strategies in Rational Drug Design

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

Guidebook on Molecular Modeling in Drug Design

Guidebook on Molecular Modeling in Drug Design
  • Author : N. Claude Cohen
  • Publisher : Gulf Professional Publishing
  • Release Date : 1996-04-26
  • ISBN : 012178245X
GET THIS BOOKGuidebook on Molecular Modeling in Drug Design

The molecular modeling perspective in drug design. (N. Calude Cohen). Molecular graphics and modeling: tools of the trade. (Roderick E. Hubbard). Molecular modeling of small molecules. (Tamara Gund). Computer assisted new lead design. (Akiko Itai, Miho Yamada Mizutani, Yoshihiko Nishibata, and Nubuo Tomioka). Experimental techniques and data banks. (John P. Priestle and C. Gregory Paris). Computer-assisted drug discovery. (Peter Gund, Gerald Maggiora, and James P. Snyder). Modeling drug-receptor interactions. (Konrad F. Koehler, Shashidhar N. Rao, and James P. Snyder). Glossary

Molecular Docking and Molecular Dynamics

Molecular Docking and Molecular Dynamics
  • Author : Amalia Stefaniu
  • Publisher : BoD – Books on Demand
  • Release Date : 2019-12-18
  • ISBN : 9781789840919
GET THIS BOOKMolecular Docking and Molecular Dynamics

This book clearly explains the principles of in silico tools of molecular docking and molecular dynamics. It provides examples of algorithms and procedures proposed by different software programs for visualizing and identifying potential interactions in complexes of biochemical interest. The book is structured in six chapters, each of which discusses different molecular simulation methodologies and provides concrete examples of complexes interactions. In each chapter authors give an overview of the treated subject, a description of the methodologies used, and a

Quick Guideline for Computational Drug Design

Quick Guideline for Computational Drug Design
  • Author : Sheikh Arslan Sehgal, A. Hammad Mirza,Rana Adnan Tahir,Asif Mir
  • Publisher : Bentham Science Publishers
  • Release Date : 2018-02-16
  • ISBN : 9781681086033
GET THIS BOOKQuick Guideline for Computational Drug Design

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

Computation in BioInformatics

Computation in BioInformatics
  • Author : S. Balamurugan,Anand T. Krishnan,Dinesh Goyal,Balakumar Chandrasekaran,Boomi Pandi
  • Publisher : John Wiley & Sons
  • Release Date : 2021-12-14
  • ISBN : 9781119654711
GET THIS BOOKComputation in BioInformatics

Bioinformatics is a platform between the biology and information technology. The book covers a broad spectrum of the bioinformatics fields starting from the basic principles, concepts, and multidisciplinary application areas. It comprises a collection of chapters describing the role of bioinformatics in drug design and discovery including the molecular modeling aspects; chapters detailing topics such as silico design, protein modeling, DNA Microarray Analysis, DNA-RNA barcoding, gene sequencing; specialized topics such as bioinformatics in cancer detection, genomics, proteomics, machine learning, covalent

Computational Drug Discovery and Design

Computational Drug Discovery and Design
  • Author : Mohini Gore,Umesh B. Jagtap
  • Publisher : Humana
  • Release Date : 2019-04-12
  • ISBN : 1493992767
GET THIS BOOKComputational Drug Discovery and Design

This volume details methods and techniques for identification of drug targets, binding sites prediction, high-throughput virtual screening,and prediction of pharmacokinetic properties using computer based methodologies. Chapters guide readers through techniques of the available computational tools, developing prediction models for drug target prediction and de novo design of ligands, structure based drug designing, fragment-based drug designing, molecular docking, and scoring functions for assessing protein-ligand docking protocols. Written in the highly successful Methods in Molecular Biology series format, chapters include introductions