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Book Synopsis
An in-depth overview of what computation can do in bioinorganic chemistry, written for experimentalists and theoreticians working at the interface between chemistry and biology Until 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. Advances in Computational Bioinorganics: From Description to Prediction 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 Bioinorganics

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    A Hardback by Jean-Didier Marechal

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      Publisher: John Wiley & Sons Inc
      Publication Date: Publication Date: 18/01/2025
      ISBN13: 9781119415138, 978-1119415138
      ISBN10:
      Also in:
      Chemistry

      Description

      Book Synopsis
      An in-depth overview of what computation can do in bioinorganic chemistry, written for experimentalists and theoreticians working at the interface between chemistry and biology Until 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. Advances in Computational Bioinorganics: From Description to Prediction 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

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