Computational Molecular Science

<p><b>Easy access to information on all aspects of molecular computations</b><br /><i><b>Order the six-volume set today and benefit from the special introductory price – full details below</b></i></p> <p><i>Computational Molecular Science</i> is the successor of the highly acclaimed <i>Encyclopedia of Computational Chemistry</i>, 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.</p> <p>Capturing the interdisciplinary flavour of the field, authors address key topics from differing perspectives such as chemistry, biology and materials science.</p> <p>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:</p> <ul> <li><b>Overviews</b> provide broad and non-technical treatment of important topics at an accessible level</li> <li>Key areas of research in the style of leading review journals are presented in <b>Advanced Reviews</b> for researchers and advanced students</li> <li><b>Focus Articles</b> present short, technical contributions describing specific real-world issues, e.g. implementations etc.</li> <li><b>Software Reviews</b> feature specific software packages of high utility in the field, with an emphasis on their capabilities and implementation rather than methodology</li> <li><b>Opinions</b> present individual perspectives from thought leaders in the field</li> </ul> <p>A special focus has been placed on computations and modeling of relevant biomolecules which are essential to new developments in medicinal chemistry.</p> <p>Covering all areas relevant to the understanding of computational molecular methods the content is structured in the following sections:</p> <ul> <li><b>Computer and Information Science</b> 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.</li> <li><b>Electronic Structure Theory</b> covers computations of molecules based on <i>ab initio</i> quantum molecular methods and density functional theory</li> <li><b>Simulation Methods</b> includes free energy methods, molecular dynamics, Monte-Carlo methods and molecular mechanics</li> <li><b>Software</b> describes examples of commercial and shareware software packages for molecular computations and modeling</li> <li><b>Structure and Mechanism</b> concentrates on applications in the areas of computational biochemistry and biophysics, computational materials science, molecular structures and dynamics, and reaction mechanisms</li> <li><b>Theoretical and Physical Chemistry</b> includes reaction dynamics, kinetics and spectroscopy</li> </ul> <p>Experience the scope of content in <i>Computational Molecular Science</i> for yourself with a selection of free articles available to download now:<i><br /><br /></i><a title=”Predictions of protein–RNA interactions” href=”http://wires.wiley.com/WileyCDA/WiresArticle/wisId-WCMS1119.html” target=”_blank”>Predictions of protein–RNA interactions</a><br /><br /><a title=”Cheminformatics and the Semantic Web” href=”http://wires.wiley.com/WileyCDA/WiresArticle/wisId-WCMS1127.html” target=”_blank”>Cheminformatics and the Semantic Web: adding value with linked data and enhanced provenance<br /></a><br /><a title=”Density functional theory in materials science” href=”http://wires.wiley.com/WileyCDA/WiresArticle/wisId-WCMS1125.html” target=”_blank”>Density functional theory in materials science</a><br /><br /><a title=”Metadynamics” href=”http://wires.wiley.com/WileyCDA/WiresArticle/wisId-WCMS31.html” target=”_blank”>Metadynamics</a><br /><br /><a title=”Noncovalent interactions in biochemistry” href=”http://wires.wiley.com/WileyCDA/WiresArticle/wisId-WCMS8.html” target=”_blank”>Noncovalent interactions in biochemistry