© 2014

Protein Conformational Dynamics

  • Ke-li Han
  • Xin Zhang
  • Ming-jun Yang


  • Covering both the description of widely used theoretical approaches and the applications of these methods in the study of protein dynamics

  • A thorough and extensive exploration and description of recent advances in the computational study of protein dynamics

  • Manifests the important role of the dynamic personalities of biological molecules in a variety of significant biological processes


Part of the Advances in Experimental Medicine and Biology book series (AEMB, volume 805)

Table of contents

  1. Front Matter
    Pages i-xii
  2. Takao Yoda, Yuji Sugita, Yuko Okamoto
    Pages 1-27
  3. Lin-Tai Da, Fu Kit Sheong, Daniel-Adriano Silva, Xuhui Huang
    Pages 29-66
  4. Christopher James Langmead
    Pages 87-105
  5. Niels Volkmann
    Pages 137-155
  6. Suryani Lukman, Chandra S. Verma, Gloria Fuentes
    Pages 245-269
  7. Jingwei Weng, Wenning Wang
    Pages 305-329
  8. Yuko Ito, Mitsunori Ikeguchi
    Pages 411-440
  9. Francesco Musiani, Giulia Rossetti, Alejandro Giorgetti, Paolo Carloni
    Pages 441-457
  10. Back Matter
    Pages 459-488

About this book


This book discusses how biological molecules exert their function and regulate biological processes, with a clear focus on how conformational dynamics of proteins are critical in this respect. In the last decade, the advancements in computational biology, nuclear magnetic resonance including paramagnetic relaxation enhancement, and fluorescence-based ensemble/single-molecule techniques have shown that biological molecules (proteins, DNAs and RNAs) fluctuate under equilibrium conditions. The conformational and energetic spaces that these fluctuations explore likely contain active conformations that are critical for their function. More interestingly, these fluctuations can respond actively to external cues, which introduces layers of tight regulation on the biological processes that they dictate. A growing number of studies have suggested that conformational dynamics of proteins govern their role in regulating biological functions, examples of this regulation can be found in signal transduction, molecular recognition, apoptosis, protein / ion / other molecules translocation and gene expression.


On the experimental side, the technical advances have offered deep insights into the conformational motions of a number of proteins. These studies greatly enrich our knowledge of the interplay between structure and function.


On the theoretical side, novel approaches and detailed computational simulations have provided powerful tools in the study of enzyme catalysis, protein / drug design, protein / ion / other molecule translocation and protein folding/aggregation, to name but a few. This work contains detailed information, not only on the conformational motions of biological systems, but also on the potential governing forces of conformational dynamics (transient interactions, chemical and physical origins, thermodynamic properties). New developments in computational simulations will greatly enhance our understanding of how these molecules function in various biological events.

Editors and affiliations

  • Ke-li Han
    • 1
  • Xin Zhang
    • 2
  • Ming-jun Yang
    • 3
  1. 1.Dalian Institute of Chemical PhysicsChinese Academy of SciencesDalianPeople's Republic of China
  2. 2.The Scripps Research InstituteLa JollaUSA
  3. 3.Dalian Institute of Chemical PhysicsChinese Academy of SciencesDalianPeople's Republic of China

Bibliographic information

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