Protein-Ligand Interactions: Methods and Applications

Part I. Introduction and Overview

1. Protein-Ligand Interactions: Fundamentals

Mark A. Williams

2. Protein Sample Characterization

Tina Daviter and Rémi Fronzes

3. Measurement of Protein-Ligand Complex Formation

Peter N. Lowe, Cara Vaughan, and Tina Daviter

Part II. Quantitation of Thermodynamics and Kinetics

4. Isothermal Titration Calorimetry for Studying Protein-Ligand Interactions

Luminita Damian

5. Rapid Mixing Kinetic Techniques

Stephen R. Martin and Maria J. Schilstra

6. Protein-Ligand Interactions Using SPR Systems

Åsa Frostell, Lena Vinterbäck and Hans Sjöbom

Part III. Spectroscopic Methods

7. Fluorescence Techniques in Analysis of Protein-Ligand Interactions

Gabor Mocz and Justin A. Ross

8. Circular and Linear Dichroism Spectroscopy for the Study of Protein-Ligand Interactions

Tina Daviter, Nikola Chmel, and Alison Rodger

9. Analyzing Protein-Ligand Interactions by Dynamic NMR Spectroscopy

Anthony Mittermaier and Erick Meneses

10. Studying Metal Ion - Protein Interactions: Electronic Absorption, Circular Dichroism and Electron Paramagnetic Resonance

Lilliana Quintanar and Lina Rivillas-Acevedo

11. Monitoring Protein-Ligand Interactions by Time-resolved FTIR Difference Spectroscopy

Carsten Kötting and Klaus Gerwert

Part IV. Ligand Discovery

12. Biophysical Methods in Drug Discovery from Small Molecule to Pharmaceutical

Geoffrey Holdgate, Stefan Geschwindner, Alex Breeze, Gareth Davies, Nicola Colclough, David Temesi, and Lara Ward

13. Biophysical Screening for the Discovery of Small-Molecule Ligands

Alessio Ciulli

14. Screening Protein-Small Molecule Interactions by NMR

Ben Davis

Part V. Molecules in Cellular Environments

15. Model Membrane Systems

Heiko Keller, Remigiusz Worch, and Petra Schwille

16. Quantitative Fluorescence Co-localization to Study Protein-Receptor Complexes

Shanica N. Pompey, Peter Michaely, and Katherine Luby-Phelps

Part VI. Structural & Computational Methods

17. Studying Protein-Ligand Interactions Using X-Ray Crystallography

Andrew P. Turnbull and Paul Emsley

18. Molecular Fields in Ligand Discovery

Paul J. Gane and A. W. Edith Chan

19. Structure-Based Virtual Screening for Novel Ligands

William R. Pitt, Mark D. Calmiano, Boris Kroeplien, Richard D. Taylor, James P. Turner, and Michael A. King