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Author : [Anonymus AC07534909]
Publisher : Unknown
Page : 0 pages
File Size : 43,9 Mb
Release : 2007
Category : Electronic
ISBN : 0444530894
Author : Anonim
Publisher : Elsevier
Page : 436 pages
File Size : 40,5 Mb
Release : 2015-11-29
Category : Science
ISBN : 9780444636829
Annual Reports in Computational Chemistry provides timely and critical reviews of important topics in computational chemistry as applied to all chemical disciplines. Topics covered include quantum chemistry, molecular mechanics, force fields, chemical education, and applications in academic and industrial settings. Focusing on the most recent literature and advances in the field, each article covers a specific topic of importance to computational chemists. Quantum chemistry Molecular mechanics Force fields Chemical education and applications in academic and industrial settings
Author : Anonim
Publisher : Elsevier
Page : 216 pages
File Size : 42,9 Mb
Release : 2022-11-05
Category : Science
ISBN : 9780323990936
Annual Reports in Computational Chemistry, Volume 18 in this important serial, highlights new advances in the field, with this new volume presenting interesting chapters on a variety of timely topics, including Atomistic modelling of surface plasmon resonances, Recent Advances in Solvation Modelling Applications: Chemical Properties, Reaction Mechanisms and Catalysis, Entropy considerations in catalysis, High level computational chemistry methods, and Computational Organofluorine chemistry. Provides the authority and expertise of leading contributors from an international board of authors Presents the latest release in the Annual Report on Computational Chemistry series Covers topics ranging from atomistic modeling of surface plasmon resonances to computational organofluorine chemistry
Author : [Anonymus AC06579881]
Publisher : Elsevier
Page : 347 pages
File Size : 53,5 Mb
Release : 2005
Category : Electronic
ISBN : 9780444528797
Author : Ralph A. Wheeler,David Spellmeyer
Publisher : Elsevier
Page : 339 pages
File Size : 42,8 Mb
Release : 2010-10-22
Category : Science
ISBN : 9780444535535
Annual Reports in Computational Chemistry is a new periodical providing timely and critical reviews of important topics in computational chemistry as applied to all chemical disciplines. Topics covered include quantum chemistry, molecular mechanics, force fields, chemical education, and applications in academic and industrial settings. Each volume is organized into (thematic) sections with contributions written by experts. Focusing on the most recent literature and advances in the field, each article covers a specific topic of importance to computational chemists. Annual Reports in Computational Chemistry is a "must" for researchers and students wishing to stay up-to-date on current developments in computational chemistry. Broad coverage of computational chemistry and up-to-date information Topics covered include bioinformatics, drug discovery, protein NMR, simulation methodologies, and applications in academic and industrial settings Each chapter reviews the most recent literature on a specific topic of interest to computational chemists
Author : David Spellmeyer,Ralph A. Wheeler
Publisher : Elsevier
Page : 255 pages
File Size : 48,9 Mb
Release : 2011-09-22
Category : Science
ISBN : 9780080552774
Annual Reports in Computational Chemistry is a new periodical providing timely and critical reviews of important topics in computational chemistry as applied to all chemical disciplines. Topics covered include quantum chemistry, molecular mechanics, force fields, chemical education, and applications in academic and industrial settings. Each volume is organized into (thematic) sections with contributions written by experts. Focusing on the most recent literature and advances in the field, each article covers a specific topic of importance to computational chemists. Annual Reports in Computational Chemistry is a 'must' for researchers and students wishing to stay up-to-date on current developments in computational chemistry.In Volume 3, topics covered include Simulation Methodologies (Carlos Simmerling), Biological and Biophysical Applications (Heather Carlson), Chemical Education (Theresa Zielinski), Materials and Polymers (Jeffry Madura), Quantum Chemistry (T. Daniel Crawford), and Emerging Technologies (Wendy Cornell). With this volume we extend the practice of cumulative indexing of both the current and past editions in order to provide easy identification of past reports. * Broad coverage of computational chemistry and up-to-date information* Topics covered include quantum chemistry, molecular mechanics, force fields, chemical education, and applications in academic and industrial settings* Each chapter reviews the most recent literature on a specific topic of interest to computational chemists
Author : Anonim
Publisher : Elsevier
Page : 264 pages
File Size : 53,8 Mb
Release : 2016-09-26
Category : Science
ISBN : 9780444637413
Annual Reports in Computational Chemistry provides timely and critical reviews of important topics in computational chemistry as applied to all chemical disciplines. Topics covered include quantum chemistry, molecular mechanics, force fields, chemical education, and applications in academic and industrial settings. Focusing on the most recent literature and advances in the field, each article covers a specific topic of importance to computational chemists. Includes timely discussions on quantum chemistry and molecular mechanics Covers force fields, chemical education, and more Presents the latest in chemical education and applications in both academic and industrial settings
Author : David A. Dixon
Publisher : Unknown
Page : 312 pages
File Size : 49,9 Mb
Release : 2015-12-15
Category : Science
ISBN : 0444636811
Author : David A. Dixon
Publisher : Elsevier
Page : 134 pages
File Size : 49,8 Mb
Release : 2018-10-04
Category : Science
ISBN : 9780444641458
Annual Reports in Computational Chemistry, Volume 14, provides timely and critical reviews of important topics in computational chemistry. Topics covered in this series include quantum chemistry, molecular mechanics, force fields, chemical education, and applications in academic and industrial settings. Focusing on the most recent literature and advances in the field, each article covers a specific topic of importance to computational chemists. Includes timely discussions on quantum chemistry and molecular mechanics Covers force fields, chemical education, and more Presents the latest in chemical education and applications in both academic and industrial settings
Author : David A. Dixon
Publisher : Elsevier
Page : 200 pages
File Size : 44,9 Mb
Release : 2020-09-24
Category : Science
ISBN : 9780128206959
Annual Reports in Computational Chemistry, Volume 16, provides timely and critical reviews of important topics in computational chemistry. Topics covered in this series include quantum chemistry, molecular mechanics, force fields, chemical education, and applications in academic and industrial settings. Focusing on the most recent literature and advances in the field, each article covers a specific topic of importance to computational chemists. Includes timely discussions on quantum chemistry and molecular mechanics Covers force fields, chemical education, and more Presents the latest in chemical education and applications in both academic and industrial settings
Author : Johannes Kirchmair
Publisher : John Wiley & Sons
Page : 538 pages
File Size : 53,6 Mb
Release : 2014-06-26
Category : Medical
ISBN : 9783527673018
The first professional reference on this highly relevant topic, for drug developers, pharmacologists and toxicologists. The authors provide more than a systematic overview of computational tools and knowledge bases for drug metabolism research and their underlying principles. They aim to convey their expert knowledge distilled from many years of experience in the field. In addition to the fundamentals, computational approaches and their applications, this volume provides expert accounts of the latest experimental methods for investigating drug metabolism in four dedicated chapters. The authors discuss the most important caveats and common errors to consider when working with experimental data. Collating the knowledge gained over the past decade, this practice-oriented guide presents methods not only used in drug development, but also in the development and toxicological assessment of cosmetics, functional foods, agrochemicals, and additives for consumer goods, making it an invaluable reference in a variety of disciplines.
Author : Anonim
Publisher : Academic Press
Page : 558 pages
File Size : 44,7 Mb
Release : 2016-08-04
Category : Medical
ISBN : 9780128053638
Computational Approaches for Studying Enzyme Mechanism Part A, is the first of two volumes in the Methods in Enzymology series, focusses on computational approaches for studying enzyme mechanism. The serial achieves the critically acclaimed gold standard of laboratory practices and remains one of the most highly respected publications in the molecular biosciences. Each volume is eagerly awaited, frequently consulted, and praised by researchers and reviewers alike. Now with over 550 volumes, the series remains a prominent and essential publication for researchers in all fields of life sciences and biotechnology, including biochemistry, chemical biology, microbiology, synthetic biology, cancer research, and genetics to name a few. Focuses on computational approaches for studying enzyme mechanism Continues the legacy of this premier serial with quality chapters authored by leaders in the field Covers research methods in intermediate filament associated proteins, and contains sections on such topics as lamin-associated proteins, intermediate filament-associated proteins and plakin, and other cytoskeletal cross-linkers
Author : Markus Reiher
Publisher : Springer
Page : 361 pages
File Size : 51,9 Mb
Release : 2006-12-08
Category : Science
ISBN : 9783540380856
This series presents critical reviews of the present position and future trends in modern chemical research. It contains short and concise reports on chemistry, each written by the world renowned experts. This series remains valid and useful after 5 or 10 years. More information as well as the electronic version of the whole content available at: springerlink.com.
Author : Mark S. Gordon
Publisher : John Wiley & Sons
Page : 376 pages
File Size : 46,7 Mb
Release : 2017-10-23
Category : Science
ISBN : 9781119129240
Fragmentation: Toward Accurate Calculations on Complex Molecular Systems introduces the reader to the broad array of fragmentation and embedding methods that are currently available or under development to facilitate accurate calculations on large, complex systems such as proteins, polymers, liquids and nanoparticles. These methods work by subdividing a system into subunits, called fragments or subsystems or domains. Calculations are performed on each fragment and then the results are combined to predict properties for the whole system. Topics covered include: Fragmentation methods Embedding methods Explicitly correlated local electron correlation methods Fragment molecular orbital method Methods for treating large molecules This book is aimed at academic researchers who are interested in computational chemistry, computational biology, computational materials science and related fields, as well as graduate students in these fields.
Author : Holger Gohlke
Publisher : John Wiley & Sons
Page : 361 pages
File Size : 53,8 Mb
Release : 2012-05-21
Category : Medical
ISBN : 9783527329663
Innovative and forward-looking, this volume focuses on recent achievements in this rapidly progressing field and looks at future potential for development. The first part provides a basic understanding of the factors governing protein-ligand interactions, followed by a comparison of key experimental methods (calorimetry, surface plasmon resonance, NMR) used in generating interaction data. The second half of the book is devoted to insilico methods of modeling and predicting molecular recognition and binding, ranging from first principles-based to approximate ones. Here, as elsewhere in the book, emphasis is placed on novel approaches and recent improvements to established methods. The final part looks at unresolved challenges, and the strategies to address them. With the content relevant for all drug classes and therapeutic fields, this is an inspiring and often-consulted guide to the complexity of protein-ligand interaction modeling and analysis for both novices and experts.