Computer Modeling of Chemical Reactions in Enzymes and Solutions

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