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.
Marine Drug Discovery Through Computer-Aided Approaches
Marine Drug Discovery Through Computer-Aided 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 Marine Drug Discovery Through Computer-Aided Approaches write by Susana P Gaudencio. This book was released on 2024-01-04. Marine Drug Discovery Through Computer-Aided Approaches available in PDF, EPUB and Kindle. Computer-Aided Ligand- and Structure-based methodologies are an evolving field in the discovery of Marine Drugs. Computational approaches, chemistry simulation methods using bioinformatics and chemoinformatics tools and databases can be successfully used in the discovery, design and development of new chemical agents for therapeutic purposes by assisting in the structure elucidation of secondary metabolites, repurposing known Marine Natural Products (MNPs) for innovative therapeutic targets, identifying novel hits or leads against selected therapeutic targets and revealing mechanisms of action and supporting medicinal chemistry lead optimization programs. This Special Issue of Marine Drugs entitled "Marine Drug Discovery through Computer-Aided Approaches" aims to provide a comprehensive overview of the great variety of existing and advanced Computer-Aided Approaches for the discovery and identification of molecular agents with added value and health-promoting properties for the development of biotechnological and medical applications.
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.
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
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 Computer-Aided Drug Design write by Dev Bukhsh Singh. This book was released on 2020-10-09. Computer-Aided Drug Design available in PDF, EPUB and Kindle. 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.
