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.
Computer Aided Drug Design (CADD): From Ligand-Based Methods to Structure-Based Approaches
Computer Aided Drug Design (CADD): From Ligand-Based Methods to Structure-Based Approaches - 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 (CADD): From Ligand-Based Methods to Structure-Based Approaches write by Mithun Rudrapal. This book was released on 2022-05-26. Computer Aided Drug Design (CADD): From Ligand-Based Methods to Structure-Based Approaches available in PDF, EPUB and Kindle. 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
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
Computer Aided Drug Design in Industrial Research
Computer Aided Drug Design in Industrial Research - 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 in Industrial Research write by E.C. Herrmann. This book was released on 2013-03-09. Computer Aided Drug Design in Industrial Research available in PDF, EPUB and Kindle. 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.
