Computational molecular science
By: editors, Peter R. Schreiner, Justus-Liebig University, Geissen, Germany, Wesley D. Allen, University of Georgia, Athens, GA, USA, Modesto Orozco, IRB Barcelona, Spain, Walter Thiel, Max-Planck Institut für Kohlenforschung, Germany, Peter Willett, Sheffield University, UK
Publisher: Wiley
Published: 2014
Place of publication: Hoboken, New Jersey
Language: eng
ISBN-13: 9780470723074
Subjects: Molecular biology; Mathematics; Data processing
Description: "Easy access to information on all aspects of molecular computations  Order the print edition today and benefit from the special introductory price - full details belowComputational Molecular Science is the successor of the highly acclaimed Encyclopedia of Computational Chemistry, which was published by Wiley in 1998, and is the ultimate resource on all aspects of computational chemistry and its applications in chemistry, biology and materials science.Capturing the interdisciplinary flavour of the field, authors address key topics from differing perspectives such as chemistry, biology and materials science.In order to make the material accessible to students, practitioners and researchers alike the content is presented at different depths and levels in a range of article types:  Overviews provide broad and non-technical treatment of important topics at an accessible level  Key areas of research in the style of leading review journals are presented in Advanced Reviews for researchers and advanced students  Focus Articles present short, technical contributions describing specific real-world issues, e.g. implementations etc.  Software Reviews feature specific software packages of high utility in the field, with an emphasis on their capabilities and implementation rather than methodology  Opinions present individual perspectives from thought leaders in the field  A special focus has been placed on computations and modeling of relevant biomolecules which are essential to new developments in medicinal chemistry.Covering all areas relevant to the understanding of computational molecular methods the content is structured in the following sections:  Computer and Information Science includes a wide range of techniques and applications used in cheminformatics, such as artificial intelligence, patent information, semantic web, data mining, automated synthesis design, etc.  Electronic Structure Theory covers computations of molecules based on ab initio quantum molecular methods and density functional theory  Simulation Methods includes free energy methods, molecular dynamics, Monte-Carlo methods and molecular mechanics  Software describes examples of commercial and shareware software packages for molecular computations and modeling  Structure and Mechanism concentrates on applications in the areas of computational biochemistry and biophysics, computational materials science, molecular structures and dynamics, and reaction mechanisms  Theoretical and Physical Chemistry includes reaction dynamics, kinetics and spectroscopy  Experience the scope of content in Computational Molecular Science for yourself with a selection of free articles available to download now:    Predictions of protein-RNA interactions    Cheminformatics and the Semantic Web: adding value with linked data and enhanced provenance    Density functional theory in materials science    Metadynamics    Noncovalent interactions in biochemistry    Order your print copy today and take advantage of this special introductory offer  Order your print copy today and benefit from the special introductory price: &pound;1050.00 / &euro;1350.00 / $1695.00  Hurry though, this price is only valid until the 31st May 2014. Prices will revert back to &pound;1250.00 / &euro;1610.00 / $1995.00 thereafter.    If you want your information online today and tomorrow: WIREs Computational Molecular Science  All chapters included in Computational Molecular Science have also been published in WIREs Computational Molecular Science between January 2011 and June 2014.Wiley Interdisciplinary Reviews, or short WIREs, combine the best possible features of major online reference works (didactic structure, high visibility, fast searches, and electronic accessibility) with the completeness, rigor, and overall high quality of review journals.WIREs Computational Molecular Science uses all the advantages of the WIREs concept and is the logical online successor of the highly acclaimed Encyclopedia of Computational Chemistry. As a review journal WIREs Computational Molecular Science includes all the material published in the book edition and will continue to publish much more material in the future, establishing itself as THE REVIEW JOURNAL in the field of computational chemistry and biology, offering the following advantages:  An impact factor of 5.783  according to 2012 ISI Journal Citation Reports  with the following Ranking: 1/47 (Mathematical & Computational Biology) and 22/152 (Chemistry Multidisciplinary)  Indexed in all major A&I services such as CAS, TRSI and Scopus  Important new forum to promote cross-disciplinary research on computational chemistry, biochemistry and materials science  Authoritative, encyclopedic resource addressing key topics from diverse research perspectives  Recommend that your librarian requests a free trial for your institution, click here     For further information about WIREs Computational Molecular Science and other WIREs titles visit www.wires.wiley.com/compmolsci  "--

"This Handbook is the successor of the highly acclaimed and successful "Encyclopedia of Computational Chemistry", published by Wiley in 1998"--
Notes: Includes bibliographical references and index.
Table of contents: title: Volume 1. Computer and information science; title: volume 2. Electronic structure theory; title: volume 3. Simulation methods; title: volume 4. Structure and mechanism; title: volume 5. Theoretical and physical chemistry; title: volume 6. Software.