Molecular Docking for Computer-Aided Drug Design Books

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Molecular Docking for Computer Aided Drug Design


Molecular Docking for Computer Aided Drug Design
  • Author : Mohane S. Coumar
  • Publisher : Academic Press
  • Release : 2021-03-01
  • ISBN : 9780128223130
  • Language : En, Es, Fr & De
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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

Molecular Docking for Computer Aided Drug Design


Molecular Docking for Computer Aided Drug Design
  • Author : Mohane S. Coumar
  • Publisher : Academic Press
  • Release : 2021-03-15
  • ISBN : 9780128223123
  • Language : En, Es, Fr & De
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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

Computer Aided Drug Design


Computer Aided Drug Design
  • Author : Dev Bukhsh Singh
  • Publisher : Springer Nature
  • Release : 2020-10-09
  • ISBN : 9789811568152
  • Language : En, Es, Fr & De
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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.

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 : 2016-05-11
  • ISBN : 9781522503637
  • Language : En, Es, Fr & De
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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 designed for professionals, researchers, practitioners, and medical chemists actively involved in computational chemistry and pharmaceutical sciences.

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 : 2016-05-03
  • ISBN : 9781522501169
  • Language : En, Es, Fr & De
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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 a pivotal resource for professionals, researchers, students, and practitioners in the field of theoretical and computational chemistry.