Equilibria and Kinetics of Biological Macromolecules

<p>Preface xix</p>
<p>Acknowledgments xxi</p>
<p>PART 1 BASIC PRINCIPLES 1</p>
<p>1. Thermodynamics 3</p>
<p>2. Four Basic Quantum Mechanical Models of Nuclear and Electronic Motion: A Synopsis 35</p>
<p>3. Molecular Structure and Interactions 51</p>
<p>4. Water and the Hydrophobic Effect 77</p>
<p>PART 2 STATISTICAL MECHANICS: THE MOLECULAR BASIS OF THERMODYNAMICS 91</p>
<p>5. The Molecular Partition Function 93</p>
<p>6. System Ensembles and Partition Functions 111</p>
<p>7. Sampling Molecular Systems with Simulations 137</p>
<p>PART 3 BINDING TO MACROMOLECULES 161</p>
<p>8. Binding Equilibria 163</p>
<p>9. Thermodynamics of Molecular Interactions 185</p>
<p>10. Elements of Statistical Mechanics of Liquids and Solutions 197</p>
<p>11. Analysis of Binding Equilibria in Terms of Partition Functions 213</p>
<p>12. Coupled Equilibria 223</p>
<p>13. Allosteric Function 239</p>
<p>14. Charged Groups: Binding of Hydrogen Ions, Solvation, and Charge Charge Interactions 255</p>
<p>PART 4 CONFORMATIONAL STABILITY AND CONFORMATION CHANGE 277</p>
<p>15. Some Elements of Polymer Physics 279</p>
<p>16. Helix–Coil Equilibria 291</p>
<p>17. Protein Unfolding Equilibria 311</p>
<p>18. Elasticity of Biological Materials 347</p>
<p>PART 5 KINETICS AND IRREVERSIBLE PROCESSES 357</p>
<p>19. Kinetics 359</p>
<p>20. Kinetics of Protein Folding 389</p>
<p>21. Irreversible and Stochastic Processes 415</p>
<p>APPENDICES 437</p>
<p>Index 491</p>