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Computational Methods for Modeling Metalloproteins

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Metalloproteins

Part of the book series: Methods in Molecular Biology ((MIMB,volume 1876))

Abstract

Metalloproteins are challenging objects if we want to investigate their chemical reactivity with theoretical approaches such as density functional theory (DFT). The complexity of these biomolecules often requires us to find a compromise between accuracy and feasibility, one that is tailored to the questions we set out to answer. In this chapter, we discuss computational approaches to studying chemical reactions in metalloproteins and how to utilize the information hidden in homologous proteins.

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Acknowledgments

The authors are supported by the National Science Foundation CAREER award CHE-1651398 (to Y.H.).

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Authors and Affiliations

  1. Department of Molecular Biology and Biochemistry, University of California, Irvine, Irvine, CA, USA

    Martin T. Stiebritz & Yilin Hu

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  1. Martin T. Stiebritz
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  2. Yilin Hu
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Correspondence to Martin T. Stiebritz or Yilin Hu .

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Editors and Affiliations

  1. Department of Molecular Biology and Biochemistry, University of California-Irvine, Irvine, CA, USA

    Yilin Hu

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Stiebritz, M.T., Hu, Y. (2019). Computational Methods for Modeling Metalloproteins. In: Hu, Y. (eds) Metalloproteins. Methods in Molecular Biology, vol 1876. Humana Press, New York, NY. https://doi.org/10.1007/978-1-4939-8864-8_16

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  • DOI: https://doi.org/10.1007/978-1-4939-8864-8_16

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  • Publisher Name: Humana Press, New York, NY

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