Contents

1.1 Introduction 15

1.2 Determination of the Affinity—The Total Strength of the Ligand-Protein Interaction 16

1.3 Partitioning of AG 18

1.3.1 AGtransl+rot—The Freezing of the Overall Molecular Motion 18

1.3.2 AGconf—Conformational Changes of Ligand and Receptor 19

1.3.3 AGpolar—Electrostatic Interactions and Hydrogen Bonding 21

1.3.3.1 Hydrogen Bonds 21

1.3.3.2 Polar Interactions Involving Aromatic Ring Systems 23

1.3.4 AGhydrophob—The Hydrophobic Effect 24

1.3.5 AGvdW—Attractive and Repulsive vdW Interactions 25

Further Readings 26

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