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Uses and Abuses of the Atomic Displacement Parameters in Structural Biology

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Data Mining Techniques for the Life Sciences

Part of the book series: Methods in Molecular Biology ((MIMB,volume 2449))

Abstract

B-factors determined with X-ray crystallographic analyses are commonly used to estimate the flexibility degree of atoms, residues, and molecular moieties in biological macromolecules. In this chapter, the most recent studies and applications of B-factors in protein engineering and structural biology are briefly summarized. Particular emphasis is given to the limitations in using B-factors, in order to prevent inappropriate applications. It is eventually predicted that future applications will involve anisotropically refined B-factors, deep learning, and data produced by cryo-EM.

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Acknowledgments

Prof. J. P. Rameau is gratefully acknowledged for constant support and helpful discussions.

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  1. University of Pavia, Pavia, Italy

    Oliviero Carugo

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  1. Oliviero Carugo
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Correspondence to Oliviero Carugo .

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Editors and Affiliations

  1. University of Pavia, Pavia, Italy

    Oliviero Carugo

  2. Genome Institute and Bioinformatics Institute, Singapore, Singapore

    Frank Eisenhaber

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Carugo, O. (2022). Uses and Abuses of the Atomic Displacement Parameters in Structural Biology. In: Carugo, O., Eisenhaber, F. (eds) Data Mining Techniques for the Life Sciences. Methods in Molecular Biology, vol 2449. Humana, New York, NY. https://doi.org/10.1007/978-1-0716-2095-3_12

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  • DOI: https://doi.org/10.1007/978-1-0716-2095-3_12

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