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Advancements of Mass Spectrometry in Biomedical Research pp 107–128Cite as

Utility of Computational Structural Biology in Mass Spectrometry

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Part of the book series: Advances in Experimental Medicine and Biology ((AEMB,volume 806))

Abstract

Recent developments of mass spectrometry (MS) allow us to identify, estimate, and characterize proteins and protein complexes. At the same time, structural biology helps to determine the protein structure and its structure–function relationship. Together, they aid to understand the protein structure, property, function, protein–complex assembly, protein–protein interaction and dynamics. The present chapter is organized with illustrative results to demonstrate how experimental mass spectrometry can be combined with computational structural biology for detailed studies of protein’s structures. We have used tumor differentiation factor protein/peptide as ligand and Hsp70/Hsp90 as receptor protein as examples to study ligand–protein interaction. To investigate possible protein conformation we will describe two proteins, lysozyme and myoglobin.

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Acknowledgements

This work was supported in part by the Keep a Breast Foundation (KEABF-375-35054), the Redcay Foundation (SUNY Plattsburgh), the Alexander von Humboldt Foundation, SciFund Challenge, private donations (Ms. Mary Stewart Joyce & Mr. Kenneth Sandler), the David A. Walsh fellowship, and by the U.S. Army research office (DURIP grant #W911NF-11-1-0304).

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Authors and Affiliations

  1. Department of Chemistry & Biomolecular Science, Biochemistry & Proteomics Group, Structural Biology & Molecular Modeling Unit, Clarkson University, 8 Clarkson Avenue, Potsdam, NY, 13699-5810, USA

    Urmi Roy, Alisa G. Woods, Izabela Sokolowska & Costel C. Darie

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  1. Urmi Roy
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  2. Alisa G. Woods
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  3. Izabela Sokolowska
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  4. Costel C. Darie
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Correspondence to Costel C. Darie .

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Editors and Affiliations

  1. Chemistry and Biomolecular Science Biochemistry and Proteomics Group, Clarkson University, Potsdam, New York, USA

    Alisa G. Woods

  2. Chemistry and Biomolecular Science Biochemistry and Proteomics Group, Clarkson University, Potsdam, New York, USA

    Costel C. Darie

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Roy, U., Woods, A.G., Sokolowska, I., Darie, C.C. (2014). Utility of Computational Structural Biology in Mass Spectrometry. In: Woods, A., Darie, C. (eds) Advancements of Mass Spectrometry in Biomedical Research. Advances in Experimental Medicine and Biology, vol 806. Springer, Cham. https://doi.org/10.1007/978-3-319-06068-2_6

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