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Homology Modeling pp 313–330Cite as

Investigating Protein Variants Using Structural Calculation Techniques

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Part of the book series: Methods in Molecular Biology ((MIMB,volume 857))

Abstract

Structure calculation techniques can be very useful to bridge the gap between available sequence information and structural knowledge. In order to understand the molecular mechanisms behind diseases caused by residue exchanges, knowledge about the modified structure is needed. In this chapter, we describe how energy minimizations and molecular dynamics can be useful tools in order to study the structural effects of sequence variation. With these techniques, together with investigation of other properties, it is often possible to obtain a complete picture of the effect and mechanism behind disease-causing mutations. To take this information one step further, we also describe prediction methods that can be used to judge the effects of mutations and how to evaluate these and the interplay between the protein properties.

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Author information

Authors and Affiliations

  1. IFM Bioinformatics and SeRC (Swedish e-Science Research Centre), Linköping University, Linköping, Sweden

    Jonas Carlsson & Bengt Persson

  2. Science for Life Laboratory, Department of Cell and Molecular Biology, Karolinska Institutet, Stockholm, Sweden

    Bengt Persson

Authors
  1. Jonas Carlsson
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  2. Bengt Persson
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Correspondence to Bengt Persson .

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Editors and Affiliations

  1. Molsoft L.L.C., Sorrento Valley Road 11199, S209 San Diego, 92121, California, USA

    Andrew J. W. Orry

  2. Skaggs School of Pharmacy &, Pharmaceutical Sciences, University of California, San Diego, Gilman Drive 9500, La Jolla, 92093, California, USA

    Ruben Abagyan

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Carlsson, J., Persson, B. (2011). Investigating Protein Variants Using Structural Calculation Techniques. In: Orry, A., Abagyan, R. (eds) Homology Modeling. Methods in Molecular Biology, vol 857. Humana Press. https://doi.org/10.1007/978-1-61779-588-6_14

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  • DOI: https://doi.org/10.1007/978-1-61779-588-6_14

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  • Print ISBN: 978-1-61779-587-9

  • Online ISBN: 978-1-61779-588-6

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