Reviews In Computational Chemistry Volume 30
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Author |
: Abby L. Parrill |
Publisher |
: John Wiley & Sons |
Total Pages |
: 404 |
Release |
: 2017-04-10 |
ISBN-10 |
: 9781119355434 |
ISBN-13 |
: 1119355435 |
Rating |
: 4/5 (34 Downloads) |
Synopsis Reviews in Computational Chemistry, Volume 30 by : Abby L. Parrill
The Reviews in Computational Chemistry series brings together leading authorities in the field to teach the newcomer and update the expert on topics centered on molecular modeling. • Provides background and theory, strategies for using the methods correctly, pitfalls to avoid, applications, and references • Contains updated and comprehensive compendiums of molecular modeling software that list hundreds of programs, services, suppliers and other information that every chemist will find useful • Includes detailed indices on each volume help the reader to quickly discover particular topics • Uses a tutorial manner and non-mathematical style, allowing students and researchers to access computational methods outside their immediate area of expertise
Author |
: Kenny B. Lipkowitz |
Publisher |
: John Wiley & Sons |
Total Pages |
: 431 |
Release |
: 2003-05-08 |
ISBN-10 |
: 9780471458814 |
ISBN-13 |
: 0471458813 |
Rating |
: 4/5 (14 Downloads) |
Synopsis Reviews in Computational Chemistry, Volume 17 by : Kenny B. Lipkowitz
Computational chemistry is increasingly used in most areas of molecular science including organic, inorganic, medicinal, biological, physical, and analytical chemistry. Researchers in these fields who do molecular modelling need to understand and stay current with recent developments. This volume, like those prior to it, features chapters by experts in various fields of computational chemistry. Two chapters focus on molecular docking, one of which relates to drug discovery and cheminformatics and the other to proteomics. In addition, this volume contains tutorials on spin-orbit coupling and cellular automata modeling, as well as an extensive bibliography of computational chemistry books. FROM REVIEWS OF THE SERIES "Reviews in Computational Chemistry remains the most valuable reference to methods and techniques in computational chemistry."—JOURNAL OF MOLECULAR GRAPHICS AND MODELLING "One cannot generally do better than to try to find an appropriate article in the highly successful Reviews in Computational Chemistry. The basic philosophy of the editors seems to be to help the authors produce chapters that are complete, accurate, clear, and accessible to experimentalists (in particular) and other nonspecialists (in general)."—JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
Author |
: Abby L. Parrill |
Publisher |
: John Wiley & Sons |
Total Pages |
: 368 |
Release |
: 2018-11-06 |
ISBN-10 |
: 9781119518020 |
ISBN-13 |
: 1119518024 |
Rating |
: 4/5 (20 Downloads) |
Synopsis Reviews in Computational Chemistry, Volume 31 by : Abby L. Parrill
The Reviews in Computational Chemistry series brings together leading authorities in the field to teach the newcomer and update the expert on topics centered on molecular modeling, such as computer-assisted molecular design (CAMD), quantum chemistry, molecular mechanics and dynamics, and quantitative structure-activity relationships (QSAR). This volume, like those prior to it, features chapters by experts in various fields of computational chemistry. Topics in Volume 31 include: Lattice-Boltzmann Modeling of Multicomponent Systems: An Introduction Modeling Mechanochemistry from First Principles Mapping Energy Transport Networks in Proteins The Role of Computations in Catalysis The Construction of Ab Initio Based Potential Energy Surfaces Uncertainty Quantification for Molecular Dynamics
Author |
: Abby L. Parrill |
Publisher |
: John Wiley & Sons |
Total Pages |
: 260 |
Release |
: 2022-02-18 |
ISBN-10 |
: 9781119625940 |
ISBN-13 |
: 1119625947 |
Rating |
: 4/5 (40 Downloads) |
Synopsis Reviews in Computational Chemistry, Volume 32 by : Abby L. Parrill
REVIEWS IN COMPUTATIONAL CHEMISTRY THE LATEST VOLUME IN THE REVIEWS IN COMPUTATIONAL CHEMISTRY SERIES, THE INVALUABLE REFERENCE TO METHODS AND TECHNIQUES IN COMPUTATIONAL CHEMISTRY Reviews in Computational Chemistry reference texts assist researchers in selecting and applying new computational chemistry methods to their own research. Bringing together writings from leading experts in various fields of computational chemistry, Volume 32 covers topics including global structure optimization, time-dependent density functional tight binding calculations, non-equilibrium self-assembly, cluster prediction, and molecular simulations of microphase formers and deep eutectic solvents. In keeping with previous books in the series, Volume 32 uses a non-mathematical style and tutorial-based approach that provides students and researchers with easy access to computational methods outside their area of expertise. The chapters comprising Volume 32 are connected by two themes: methods that can be broadly applied to a variety of systems, and special considerations required when modeling specific system types. Each in-depth chapter contains background and theory, strategies for using the methods correctly, mini-tutorials and best practices, and critical literature reviews highlighting advanced applications. Essential reading for both newcomers and experts in the area of molecular modeling, this state-of-the-art resource: Covers topics such as non-deterministic global optimization (NDGO) approaches and excited-state dynamics calculations Contains a detailed overview of deep eutectic solvents (DESs) and simulation methods Presents methodologies for investigating chemical systems that form microphases with periodic morphologies such as lamellae and cylinders Features step-by-step tutorials on applying techniques to probe and understand the chemical dynamics exhibited in a system Includes detailed subject indices on each volume in the series and up-to-date compendiums of molecular modeling software, services, programs, suppliers, and other useful information Reviews in Computational Chemistry, Volume 32 is a must-have guide for computational chemists, theoretical chemists, pharmaceutical chemists, biological chemists, chemical engineers, researchers in academia and industry, and graduate students involved in molecular modeling.
Author |
: Didier Rognan |
Publisher |
: John Wiley & Sons |
Total Pages |
: 300 |
Release |
: 2006-03-10 |
ISBN-10 |
: 3527312846 |
ISBN-13 |
: 9783527312849 |
Rating |
: 4/5 (46 Downloads) |
Synopsis Ligand Design for G Protein-coupled Receptors, Volume 30 by : Didier Rognan
1. G protein-coupled receptors in the human genome -- 2. Why G protein-coupled receptors databases are needed -- 3. A novel drug screening assay for G protein-coupled receptors -- 4. Importance of GPCR dimerization for function : the case of the class C GPCRs -- 5. Molecular mechanisms of GPCR activation -- 6. Allosteric properties and regulation of G protein-coupled receptors -- 7. Chemogenomics approaches to ligand design -- 8. Strategies for the design of pGPCR-targeted libraries -- 9. Ligand-based rational design : virtual screening -- 10. 3-D structure of G protein-coupled receptors --11. 7TM models in structure-based drug design -- 12. Receptor-based rational design : virtual screening.
Author |
: David B. Cook |
Publisher |
: Courier Corporation |
Total Pages |
: 852 |
Release |
: 2005-08-02 |
ISBN-10 |
: 9780486443072 |
ISBN-13 |
: 0486443078 |
Rating |
: 4/5 (72 Downloads) |
Synopsis Handbook of Computational Quantum Chemistry by : David B. Cook
This comprehensive text provides upper-level undergraduates and graduate students with an accessible introduction to the implementation of quantum ideas in molecular modeling, exploring practical applications alongside theoretical explanations. Topics include the Hartree-Fock method; matrix SCF equations; implementation of the closed-shell case; introduction to molecular integrals; and much more. 1998 edition.
Author |
: Kenny B. Lipkowitz |
Publisher |
: John Wiley & Sons |
Total Pages |
: 570 |
Release |
: 2008-11-19 |
ISBN-10 |
: 9780470399538 |
ISBN-13 |
: 0470399538 |
Rating |
: 4/5 (38 Downloads) |
Synopsis Reviews in Computational Chemistry, Volume 26 by : Kenny B. Lipkowitz
Computational chemistry is increasingly used in conjunction with organic, inorganic, medicinal, biological, physical, and analytical chemistry, biotechnology, materials science, and chemical physics. This series is essential in keeping those individuals involved in these fields abreast of recent developments in computational chemistry.
Author |
: Kenny B. Lipkowitz |
Publisher |
: John Wiley & Sons |
Total Pages |
: 443 |
Release |
: 2009-09-22 |
ISBN-10 |
: 9780470126059 |
ISBN-13 |
: 0470126051 |
Rating |
: 4/5 (59 Downloads) |
Synopsis Reviews in Computational Chemistry, Volume 1 by : Kenny B. Lipkowitz
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.
Author |
: Kenny B. Lipkowitz |
Publisher |
: John Wiley & Sons |
Total Pages |
: 475 |
Release |
: 2005-05-06 |
ISBN-10 |
: 9780471720881 |
ISBN-13 |
: 0471720887 |
Rating |
: 4/5 (81 Downloads) |
Synopsis Reviews in Computational Chemistry, Volume 21 by : Kenny B. Lipkowitz
REVIEWS IN COMPUTATIONAL CHEMISTRY Kenny B. Lipkowitz, Raima Larter, and Thomas R. Cundari This volume, like those prior to it, features chapters by experts in various fields of computational chemistry. TOPICS COVERED IN Volume 21 iNCLUDE AB INITIO QUANTUM SIMULATION IN SOLID STATE CHEMISTRY; MOLECULAR QUANTUM SIMILARITY; ENUMERATING MOLECULES; VARIABLE SELECTION; BIOMOLECULAR APPLICATIONS OF POISSON-BOLTZMANN METHODS; AND DATA SOURCES AND COMPUTATIONAL APPROACHES FOR GENERATING MODELS OF GENE REGULATORY NETWORKS. FROM REVIEWS OF THE SERIES "Reviews in Computational Chemistry remains the most valuable reference to methods and techniques in computational chemistry." --JOURNAL OF MOLECULAR GRAPHICS AND MODELLING "One cannot generally do better than to try to find an appropriate article in the highly successful Reviews in Computational Chemistry. The basic philosophy of the editors seems to be to help the authors produce chapters that are complete, accurate, clear, and accessible to experimentalists (in particular) and other nonspecialists (in general)." --JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
Author |
: Kenny B. Lipkowitz |
Publisher |
: John Wiley & Sons |
Total Pages |
: 482 |
Release |
: 2009-09-22 |
ISBN-10 |
: 9780470126097 |
ISBN-13 |
: 0470126094 |
Rating |
: 4/5 (97 Downloads) |
Synopsis Reviews in Computational Chemistry, Volume 5 by : Kenny B. Lipkowitz
Führende Experten auf dem Gebiet der Computer-Chemie präsentieren in dem fünften Band der erfolgreichen Reihe 'Reviews in Computational Chemistry' die neuesten Entwicklungen. Um den interessierten Chemiker auf dem aktuellen Stand zu halten, ist der Reihe im Anhang eine Liste mit der Software zum Thema beigefügt