{"product_id":"computational-bioinorganics-jean-didier-marzschal-9781119415138","title":"Computational Bioinorganics: From Description to Prediction","description":"\u003cp\u003e\u003cb\u003eAn in-depth overview of what computation can do in bioinorganic chemistry, written for experimentalists and theoreticians working at the interface between chemistry and biology\u003c\/b\u003e \u003c\/p\u003e\u003cp\u003eUntil recently, the field of computational bioinorganics has been governed by the application of quantum mechanical approaches. The emergence of metal-related biomolecular fields and increased computational capabilities have enabled the development of novel artificial metalloenzymes, new metallodrugs strategies, and advanced biosensor technologies. \u003c\/p\u003e\u003cp\u003e\u003ci\u003eComputational Bioinorganics: From Description to Prediction\u003c\/i\u003e provides a state-of-the-art overview of the field, covering a wide range of computational approaches, strategies, and applications. Contributions from a team of experts in bioinorganic chemistry discuss recent advances in sequence and structural bioinformatics, multi-scale strategies, large-scale molecular dynamics, and more. Divided into three parts, the book opens with a thorough introduction to computational bioinorganic chemistry, followed by an extensive summary of the computational methods available in bioinorganic chemistry. The book concludes with a series of detailed reviews of various applications, including computational studies of metal-mediated folding and computer-aided metalloenzyme design. \u003c\/p\u003e\u003cul\u003e \u003cli\u003eDiscusses the difference between fields in which bioinorganics are well established and those under active development\u003c\/li\u003e \u003cli\u003eDescribes the complexities of biometallic systems and how computation can be applied to bioinorganic systems\u003c\/li\u003e \u003cli\u003ePresents the recent advances, advantages, and limitations of each computational approach covered\u003c\/li\u003e \u003cli\u003eCovers a variety of applications of computational bioinorganics, including prediction of metal binding sites and characterization of the interaction of metallodrugs with biomolecules.\u003c\/li\u003e \u003c\/ul\u003e \u003cp\u003eEdited by a recognized leader in the field, \u003ci\u003eComputational Bioinorganics: From Description to Prediction\u003c\/i\u003e is an essential resource for academic and industrial researchers working in the fields of bioinorganic chemistry, coordination chemistry, biochemistry, computational chemistry, biophysics, bioinformatics, and protein engineering.\u003cbr\u003e\u003cbr\u003e\u003cb\u003eAuthor:\u003c\/b\u003e Jean-Didier Maréchal\u003cbr\u003e\u003cb\u003eISBN-10:\u003c\/b\u003e 1119415136\u003cbr\u003e\u003cb\u003eISBN-13:\u003c\/b\u003e 9781119415138\u003cbr\u003e\u003cb\u003ePublisher:\u003c\/b\u003e Wiley\u003cbr\u003e\u003cb\u003eLanguage:\u003c\/b\u003e English\u003cbr\u003e\u003cb\u003ePublished:\u003c\/b\u003e 02\/24\/2026\u003cbr\u003e\u003cb\u003ePages:\u003c\/b\u003e 244\u003cbr\u003e\u003cb\u003eFormat:\u003c\/b\u003e Hardcover\u003c\/p\u003e","brand":"Jean-Didier Maréchal","offers":[{"title":"Hardcover","offer_id":48086294954239,"sku":"9781119415138","price":125.95,"currency_code":"USD","in_stock":false}],"thumbnail_url":"\/\/cdn.shopify.com\/s\/files\/1\/0662\/2982\/9887\/files\/img_5bb32bc2-4221-417f-9f6a-90cae910d82d.jpg?v=1769093889","url":"https:\/\/www.whiterainbookhouse.com\/products\/computational-bioinorganics-jean-didier-marzschal-9781119415138","provider":"WR Book House","version":"1.0","type":"link"}