Frontiers in Computational Chemistry: Volume 1 - 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 Frontiers in Computational Chemistry: Volume 1 write by Zaheer Ul-Haq. This book was released on 2015-12-14. Frontiers in Computational Chemistry: Volume 1 available in PDF, EPUB and Kindle. Frontiers in Computational Chemistry, originally published by Bentham and now distributed by Elsevier, presents the latest research findings and methods in the diverse field of computational chemistry, focusing on molecular modeling techniques used in drug discovery and the drug development process. This includes computer-aided molecular design, drug discovery and development, lead generation, lead optimization, database management, computer and molecular graphics, and the development of new computational methods or efficient algorithms for the simulation of chemical phenomena including analyses of biological activity. In Volume 1, the leading researchers in the field have collected eight different perspectives in the application of computational methods towards drug design to provide an up-to-date rendering of the current field. This volume covers a variety of topics from G protein-coupled receptors, to the use of cheminformatics and bioinformatics, computational tools such as Molecular Mechanics Poisson-Boltzmann Surface Area, protein-protein interactions, the use of computational methods on large biological data sets, various computational methods used to identify pharmaceutically relevant targets, and more. Brings together a wide range of research into a single collection to help researchers keep up with new methods Uniquely focuses on computational chemistry approaches that can accelerate drug design Makes a solid connection between experiment and computation and the novel application of computational methods in the fields of biology, chemistry, biochemistry, physics, and biophysics, with particular focus on the integration of computational methods with experimental data
Frontiers in Computational Chemistry
Frontiers in Computational Chemistry - 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 Frontiers in Computational Chemistry write by Zaheer-Ul-Haq Qasmi. This book was released on 2015. Frontiers in Computational Chemistry available in PDF, EPUB and Kindle. Annotation Computational chemistry is a very diverse field spanning from the development and application of linear free energy relationships (QSAR, QSPR), to electronic structure calculations, molecular dynamics simulations, and to solving coupled differential equations (e.g. drug metabolism). Frontiers in Computational Chemistry presents contemporary research on molecular modeling techniques used in drug discovery and the drug development process: computer aided molecular design, drug discovery and development, lead generation, lead optimization, database management, computer and molecular graphics, and the development of new computational methods or efficient algorithms for the simulation of chemical phenomena including analyses of biological activity. The first volume this eBook series brings together eight different articles detailing the application of computational methods towards drug design.
Frontiers in Computational Chemistry: Volume 5
Frontiers in Computational Chemistry: Volume 5 - 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 Frontiers in Computational Chemistry: Volume 5 write by Zaheer-Ul-Haq. This book was released on 2020-09-11. Frontiers in Computational Chemistry: Volume 5 available in PDF, EPUB and Kindle. Frontiers in Computational Chemistry presents contemporary research on molecular modeling techniques used in drug discovery and the drug development process: computer aided molecular design, drug discovery and development, lead generation, lead optimization, database management, computer and molecular graphics, and the development of new computational methods or efficient algorithms for the simulation of chemical phenomena including analyses of biological activity. The fifth volume of this series features these six chapters: - Recent Advances and Role of Computational Chemistry in Drug Designing and Development on Viral Diseases - Molecular Modeling Applied to Design of Cysteine Protease Inhibitors – A Powerful Tool for the Identification of Hit Compounds Against Neglected Tropical Diseases - Application of Systems Biology Methods in Understanding the Molecular Mechanism of Signalling Pathways in the Eukaryotic System - Implementation of the Molecular Electrostatic Potential over GPUs: Large Systems as Main Target - Molecular Electron Density Theory: A New Theoretical Outlook on Organic Chemistry - Frontier Molecular Orbital Approach to the Cycloaddition Reactions
Reviews in Computational Chemistry, Volume 1
Reviews in Computational Chemistry, Volume 1 - 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 Reviews in Computational Chemistry, Volume 1 write by Kenny B. Lipkowitz. This book was released on 2009-09-22. Reviews in Computational Chemistry, Volume 1 available in PDF, EPUB and Kindle. This book is an account of current developments in computational chemistry, a new multidisciplinary area of research. Experts in computational chemistry, the editors use and develop techniques for computer-assisted molecular design. The core of the text itself deals with techniques for computer-assisted molecular design. The book is suitable for both beginners and experts. In addition, protocols and software for molecular recognition and the relationship between structure and biological activity of drug molecules are discussed in detail. Each chapter includes a mini-tutorial, as well as discussion of advanced topics. Special Feature: The appendix to this book contains an extensive list of available software for molecular modeling.
Frontiers in Computational Chemistry
Frontiers in Computational Chemistry - 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 Frontiers in Computational Chemistry write by Zaheer Ul-Haq. This book was released on 2018-10-03. Frontiers in Computational Chemistry available in PDF, EPUB and Kindle. Frontiers in Computational Chemistry presents contemporary research on molecular modeling techniques used in drug discovery and the drug development process: computer aided molecular design, drug discovery and development, lead generation, lead optimization, database management, computer and molecular graphics, and the development of new computational methods or efficient algorithms for the simulation of chemical phenomena including analyses of biological activity. The fourth volume of this series features four chapters covering natural lead compounds, computer aided drug discovery methods in Parkinson’s Disease therapy, studies of aminoacyl tRNA synthetase inhibition in bacteria, computational modeling of halogen bonds in biological systems and molecular classification of caffeine and its metabolites.
