Protein-Ligand Interactions, First Edition

Protein-Ligand Interactions, First Edition

Editor(s): Holger Gohlke

Published Online: 20 APR 2012 03:57AM EST

Print ISBN: 9783527329663

Online ISBN: 9783527645947

DOI: 10.1002/9783527645947

Series Editor(s): Raimund Mannhold, Hugo Kubinyi, Gerd Folkers

About this Book

Innovative and forward-looking, this volume focuses on recent achievements in this rapidly progressing field and looks at future potential for
development.
The first part provides a basic understanding of the factors governing protein-ligand interactions, followed by a comparison of key experimental methods (calorimetry, surface plasmon resonance, NMR) used in generating interaction data. The second half of the book is devoted to insilico methods of modeling and predicting molecular recognition and binding, ranging from first principles-based to approximate ones. Here,
as elsewhere in the book, emphasis is placed on novel approaches and recent improvements to established methods. The final part looks at
unresolved challenges, and the strategies to address them.
With the content relevant for all drug classes and therapeutic fields, this is an inspiring and often-consulted guide to the complexity of
protein-ligand interaction modeling and analysis for both novices and experts.

Table of contents

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  1. Part I: Binding Thermodynamics

  2. Part II: Learning from Biophysical Experiments

  3. Part III: Modeling Protein–Ligand Interactions

  4. Part IV: Challenges in Molecular Recognition

    1. Chapter 13

      Druggability Prediction (pages 265–282)

      Daniel Alvarez-Garcia, Jesus Seco, Peter Schmidtke and Xavier Barril

    2. Chapter 15

      Prospects of Modulating Protein–Protein Interactions (pages 295–329)

      Shijun Zhong, Taiji Oashi, Wenbo Yu, Paul Shapiro and Alexander D. MacKerell

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