Applied Computer-Aided Drug Design: Models and Methods - read free eBook in online reader or directly download on the web page. Select files or add your book in reader. Download and read online ebook Applied Computer-Aided Drug Design: Models and Methods write by Igor José dos Santos Nascimento. This book was released on 2023-12-08. Applied Computer-Aided Drug Design: Models and Methods available in PDF, EPUB and Kindle. Designing and developing new drugs is an expensive and time-consuming process, and there is a need to discover new tools or approaches that can optimize this process. Applied Computer-Aided Drug Design: Models and Methods compiles information about the main advances in computational tools for discovering new drugs in a simple and accessible language for academic students to early career researchers. The book aims to help readers understand how to discover molecules with therapeutic potential by bringing essential information about the subject into one volume. Key Features · Presents the concepts and evolution of classical techniques, up to the use of modern methods based on computational chemistry in accessible format. · Gives a primer on structure- and ligand-based drug design and their predictive capacity to discover new drugs. · Explains theoretical fundamentals and applications of computer-aided drug design. · Focuses on a range of applications of the computations tools, such as molecular docking; molecular dynamics simulations; homology modeling, pharmacophore modeling, quantitative structure-activity relationships (QSAR), density functional theory (DFT), fragment-based drug design (FBDD), and free energy perturbation (FEP). · Includes scientific reference for advanced readers Readership Students, teachers and early career researchers.
Applied Computer-Aided Drug Design
Applied Computer-Aided Drug Design - read free eBook in online reader or directly download on the web page. Select files or add your book in reader. Download and read online ebook Applied Computer-Aided Drug Design write by Igor José Dos Santos Nascimento. This book was released on 2023-12-08. Applied Computer-Aided Drug Design available in PDF, EPUB and Kindle.
Molecular Docking for Computer-Aided Drug Design
Molecular Docking for Computer-Aided Drug Design - read free eBook in online reader or directly download on the web page. Select files or add your book in reader. Download and read online ebook Molecular Docking for Computer-Aided Drug Design write by Mohane S. Coumar. This book was released on 2021-02-17. Molecular Docking for Computer-Aided Drug Design available in PDF, EPUB and Kindle. 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
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 - read free eBook in online reader or directly download on the web page. Select files or add your book in reader. Download and read online ebook Innovations and Implementations of Computer Aided Drug Discovery Strategies in Rational Drug Design write by Sanjeev Kumar Singh. This book was released on 2021-02-02. Innovations and Implementations of Computer Aided Drug Discovery Strategies in Rational Drug Design available in PDF, EPUB and Kindle. 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.
Computer-aided Drug Design Applied to Marine Drug Discovery
Computer-aided Drug Design Applied to Marine Drug Discovery - read free eBook in online reader or directly download on the web page. Select files or add your book in reader. Download and read online ebook Computer-aided Drug Design Applied to Marine Drug Discovery write by Laura Llorach Parès. This book was released on 2019. Computer-aided Drug Design Applied to Marine Drug Discovery available in PDF, EPUB and Kindle.
