Computer Modeling of Chemical Reactions in Enzymes and Solutions

Basic Principles of Chemical Bonding; Chemical Reactions in the Gas Phase and in Simple Solvent Models; Chemical Reaction in All-Atom Solvent Models; Potential Surfaces and Simulations of Macromolecules; Modeling Reactions in Enzymes: An Introduction; General Acid Catalysis and Electrostatic Stabilization in the Catalytic Reaction of Lysozyme; Serine Proteases and the Examination of Different Mechanistic Options; Simulating Metalloenzymes; How Do Enzymes Really Work?; Index.