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An Introduction to Distance Geometry applied to Molecular Geometry

  • Book
  • © 2017

Overview

Authors:
  1. Carlile Lavor

    1. University of Campinas, Campinas, Brazil

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  2. Leo Liberti

    1. CNRS and École Polytechnique, Palaiseau, France

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  3. Weldon A. Lodwick

    1. University of Colorado Denver, Denver, USA

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  4. Tiago Mendonça da Costa

    1. University of Colorado Denver, Denver, USA

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  • This is the first book that introduces key concepts in Distance Geometry to advanced undergraduate students, beginning graduate students, and professionals.

Part of the book series: SpringerBriefs in Computer Science (BRIEFSCOMPUTER)

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Table of contents (7 chapters)

  1. Front Matter

    Pages i-ix
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  2. Introduction

    • Carlile Lavor, Leo Liberti, Weldon A. Lodwick, Tiago Mendonça da Costa
    Pages 1-4

  3. The Distance Geometry Problem (DGP)

    • Carlile Lavor, Leo Liberti, Weldon A. Lodwick, Tiago Mendonça da Costa
    Pages 5-12

  4. From Continuous to Discrete

    • Carlile Lavor, Leo Liberti, Weldon A. Lodwick, Tiago Mendonça da Costa
    Pages 13-20

  5. The Discretizable Distance Geometry Problem (DDGP3)

    • Carlile Lavor, Leo Liberti, Weldon A. Lodwick, Tiago Mendonça da Costa
    Pages 21-29

  6. The Discretizable Molecular Distance Geometry Problem (DMDGP)

    • Carlile Lavor, Leo Liberti, Weldon A. Lodwick, Tiago Mendonça da Costa
    Pages 31-39

  7. Distance Geometry and Molecular Geometry

    • Carlile Lavor, Leo Liberti, Weldon A. Lodwick, Tiago Mendonça da Costa
    Pages 41-47

  8. Conclusion

    • Carlile Lavor, Leo Liberti, Weldon A. Lodwick, Tiago Mendonça da Costa
    Pages 49-49

  9. Back Matter

    Pages 51-54
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Keywords

About this book

This book is a pedagogical presentation aimed at advanced undergraduate students, beginning graduate students and professionals who are looking for an introductory text to the field of Distance Geometry, and some of its applications. 

This versions profits from feedback acquired at undergraduate/graduate courses in seminars and a number of workshops. 

Reviews

“The authors provide a graph theoretical basis for what chemists do empirically in the laboratory when they elucidate the structure of a large molecule. … I have worked in this area of research myself and appreciate the clarity and thoroughness of the presentation of this topic. I recommend it to any computational chemist, NMR spectroscopist, or biochemist who is working on determining molecular structure.” (Anthony J. Duben, Computing Reviews, June, 2018)​

Authors and Affiliations

  • University of Campinas, Campinas, Brazil

    Carlile Lavor

  • CNRS and École Polytechnique, Palaiseau, France

    Leo Liberti

  • University of Colorado Denver, Denver, USA

    Weldon A. Lodwick, Tiago Mendonça da Costa

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